 Entering Gaussian System, Link 0=g16
 Input=24_bromohexahelicene_STD_B3LYPDBJ-augccpVDZr.in
 Output=24_bromohexahelicene_STD_B3LYPDBJ-augccpVDZr.log
 AtFile(1): /user/pierpa/basis_sets/augccpVDZ.gbs
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            ****
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            ****
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            ****
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            ****
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            ****
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            ****
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            ****
            -Mn     0
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                  6.554800D-02          -9.011202D-03
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                  1.349768D+05          -8.570592D-06
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                  6.554800D-02           5.755741D-01
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            S    20   1.00
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                  5.931155D+05          -3.282099D-06
                  1.349768D+05          -1.667433D-05
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            S    1   1.00
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            P    16   1.00
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            ****
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                  1.934190D+01          -1.082310D-01
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            ****
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            S    20   1.00
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                  8.715234D+05           1.552973D-06
                  1.983350D+05           8.161259D-06
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            P    16   1.00
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            P    16   1.00
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                  6.995600D-01           2.716570D-01
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                  6.144981D+01           2.617600D-02
                  2.305689D+01           1.113670D-01
                  9.577739D+00           3.045810D-01
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                  6.995600D-01          -5.388760D-01
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            F    1   1.00
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            ****
            -Ga     0
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                  4.687800D+03           3.402480D-02
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            S    14   1.00
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            S    14   1.00
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            D    1   1.00
                  0.0537000              1.0000000
            ****
            -Ge     0
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            ****
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            ****
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            ****
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                  1.060579D+03           1.274240D-02
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                  1.289984D+02           2.085635D-01
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                  1.750446D+00           2.713900D-03
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                  1.060579D+03          -5.221200D-03
                  3.422081D+02          -2.684630D-02
                  1.289984D+02          -9.158230D-02
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                  1.750446D+00           2.750453D-01
                  5.291900D-01           1.277060D-02
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                  4.474270D+03           1.701000D-04
                  1.060579D+03           1.406400D-03
                  3.422081D+02           7.396300D-03
                  1.289984D+02           2.482540D-02
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                  2.295942D+01           4.121320D-02
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                  4.083055D+00          -2.440586D-01
                  1.750446D+00          -2.950070D-02
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            D    5   1.00
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                  3.346525D+01           1.321620D-01
                  1.183046D+01           3.633484D-01
                  4.339771D+00           4.929582D-01
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            D    1   1.00
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            ****
            -Y     0
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                 29.2935000              0.0066660
                 16.6827000             -0.0497340
                 10.4235000              0.1315590
                  3.0952600             -0.5243820
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                  0.3225670              0.4639580
                  0.0690850              0.0204860
            S    7   1.00
                 29.2935000             -0.0013580
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                 10.4235000             -0.0375720
                  3.0952600              0.1741090
                  0.7079710             -0.3385090
                  0.3225670             -0.3354170
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            S    7   1.00
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                 16.6827000             -0.0574010
                 10.4235000              0.1106480
                  3.0952600             -0.3769430
                  0.7079710              1.2026360
                  0.3225670             -0.4875820
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            S    1   1.00
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            P    6   1.00
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                  0.4727970              0.4983480
                  0.2197340              0.1957420
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            P    6   1.00
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                  0.9906740             -0.1495270
                  0.4727970             -0.2243370
                  0.2197340             -0.0114700
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            P    6   1.00
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                  4.0242700             -0.0963010
                  0.9906740              0.2986850
                  0.4727970              0.8892190
                  0.2197340             -1.4854780
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            P    1   1.00
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            D    5   1.00
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                  0.5614050              0.2962740
                  0.2267020              0.3908730
                  0.0879490              0.3539610
            D    5   1.00
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                  1.3201900             -0.1499100
                  0.5614050             -0.3732930
                  0.2267020             -0.3129870
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
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            F    1   1.00
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            ****
            -Zr     0
            S    7   1.00
                 53.4460000              0.0014860
                 17.0981000             -0.0365920
                 10.6875000              0.1321550
                  3.3913400             -0.5464540
                  0.7884750              0.8022910
                  0.3599820              0.4583040
                  0.0777920              0.0203880
            S    7   1.00
                 53.4460000             -0.0003080
                 17.0981000              0.0096310
                 10.6875000             -0.0390430
                  3.3913400              0.1847170
                  0.7884750             -0.3584690
                  0.3599820             -0.3208280
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            S    7   1.00
                 53.4460000              0.0028110
                 17.0981000             -0.0412920
                 10.6875000              0.1148910
                  3.3913400             -0.4348090
                  0.7884750              1.4174320
                  0.3599820             -0.7286190
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            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                  9.9011600              0.0214360
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                  1.0931000              0.4543260
                  0.5187860              0.4991190
                  0.2363630              0.1777830
                  0.0847070              0.0104040
            P    6   1.00
                  9.9011600             -0.0058310
                  4.4181900              0.0481520
                  1.0931000             -0.1600800
                  0.5187860             -0.2201350
                  0.2363630              0.0355150
                  0.0847070              0.6181780
            P    6   1.00
                  9.9011600             -0.0078290
                  4.4181900              0.0660080
                  1.0931000             -0.2113740
                  0.5187860             -0.3575490
                  0.2363630              0.1703870
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            P    1   1.00
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            P    1   1.00
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            D    5   1.00
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                  1.5708900              0.1278490
                  0.6923540              0.3219090
                  0.2904140              0.3998190
                  0.1158780              0.3194760
            D    5   1.00
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                  1.5708900             -0.1579890
                  0.6923540             -0.3979000
                  0.2904140             -0.2555990
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
                  0.3272000              1.0000000
            F    1   1.00
                  0.0891000              1.0000000
            ****
            -Nb     0
            S    7   1.00
                 80.8096000              0.0008890
                 17.9220000             -0.0347930
                 11.2050000              0.1389100
                  3.6990100             -0.5655680
                  0.8712090              0.8147210
                  0.3974440              0.4547970
                  0.0854690              0.0200510
            S    7   1.00
                 80.8096000             -0.0002000
                 17.9220000              0.0093020
                 11.2050000             -0.0414910
                  3.6990100              0.1923710
                  0.8712090             -0.3713520
                  0.3974440             -0.3068350
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            S    7   1.00
                 80.8096000              0.0015640
                 17.9220000             -0.0382840
                 11.2050000              0.1209450
                  3.6990100             -0.4647790
                  0.8712090              1.5031600
                  0.3974440             -0.8262330
                  0.0854690             -1.5845850
            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                 10.6457000              0.0234360
                  4.8235100             -0.1683110
                  1.2030900              0.4693810
                  0.5695080              0.4980520
                  0.2569700              0.1675400
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            P    6   1.00
                 10.6457000             -0.0064960
                  4.8235100              0.0513810
                  1.2030900             -0.1706080
                  0.5695080             -0.2198720
                  0.2569700              0.0561670
                  0.0929460              0.6165950
            P    6   1.00
                 10.6457000             -0.0091300
                  4.8235100              0.0732300
                  1.2030900             -0.2370360
                  0.5695080             -0.3685640
                  0.2569700              0.2364390
                  0.0929460              0.8267330
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
                  4.5456300             -0.0104650
                  1.8272300              0.1305530
                  0.8257640              0.3347580
                  0.3551560              0.4020270
                  0.1447240              0.3008350
            D    5   1.00
                  4.5456300              0.0105280
                  1.8272300             -0.1615000
                  0.8257640             -0.4113720
                  0.3551560             -0.2117820
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            D    1   1.00
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            D    1   1.00
                  0.0204000              1.0000000
            F    1   1.00
                  0.4690000              1.0000000
            F    1   1.00
                  0.1387000              1.0000000
            ****
            -Mo     0
            S    7   1.00
                106.9780000              0.0007350
                 18.8824000             -0.0350900
                 11.8077000              0.1473480
                  4.0211800             -0.5833630
                  0.9568160              0.8256350
                  0.4356920              0.4523110
                  0.0925180              0.0190550
            S    7   1.00
                106.9780000             -0.0001760
                 18.8824000              0.0093320
                 11.8077000             -0.0438110
                  4.0211800              0.1972320
                  0.9568160             -0.3773110
                  0.4356920             -0.2939670
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            S    7   1.00
                106.9780000              0.0011660
                 18.8824000             -0.0376070
                 11.8077000              0.1259800
                  4.0211800             -0.4752370
                  0.9568160              1.4989830
                  0.4356920             -0.8223450
                  0.0925180             -1.5606240
            S    1   1.00
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            S    1   1.00
                  0.0131000              1.0000000
            P    6   1.00
                 11.4118000              0.0253450
                  5.2453500             -0.1752130
                  1.3188400              0.4812720
                  0.6229830              0.4972610
                  0.2791080              0.1595550
                  0.1005260              0.0075430
            P    6   1.00
                 11.4118000             -0.0070220
                  5.2453500              0.0533390
                  1.3188400             -0.1756430
                  0.6229830             -0.2162130
                  0.2791080              0.0679580
                  0.1005260              0.6128160
            P    6   1.00
                 11.4118000             -0.0104200
                  5.2453500              0.0798670
                  1.3188400             -0.2629000
                  0.6229830             -0.3651840
                  0.2791080              0.2866730
                  0.1005260              0.8002580
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
                  5.2576100             -0.0147610
                  2.1046200              0.1319820
                  0.9582010              0.3470860
                  0.4140470              0.4054710
                  0.1684500              0.2880580
            D    5   1.00
                  5.2576100              0.0154390
                  2.1046200             -0.1606210
                  0.9582010             -0.4232290
                  0.4140470             -0.1923390
                  0.1684500              0.5314590
            D    1   1.00
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            D    1   1.00
                  0.0231000              1.0000000
            F    1   1.00
                  0.6007000              1.0000000
            F    1   1.00
                  0.1850000              1.0000000
            ****
            -Tc     0
            S    7   1.00
                132.6560000              0.0006860
                 19.8986000             -0.0360010
                 12.4450000              0.1564650
                  4.3605000             -0.5995730
                  1.0443600              0.8357100
                  0.4741590              0.4490550
                  0.0987360              0.0183780
            S    7   1.00
                132.6560000             -0.0001680
                 19.8986000              0.0093110
                 12.4450000             -0.0455350
                  4.3605000              0.1986020
                  1.0443600             -0.3749740
                  0.4741590             -0.2817600
                  0.0987360              0.6329980
            S    7   1.00
                132.6560000              0.0009800
                 19.8986000             -0.0378410
                 12.4450000              0.1317670
                  4.3605000             -0.4834180
                  1.0443600              1.4848540
                  0.4741590             -0.8047310
                  0.0987360             -1.5511910
            S    1   1.00
                  0.0367360              1.0000000
            S    1   1.00
                  0.0137000              1.0000000
            P    6   1.00
                 12.1789000              0.0273140
                  5.6848400             -0.1814030
                  1.4398300              0.4908910
                  0.6789090              0.4965410
                  0.3025150              0.1532990
                  0.1073070              0.0067000
            P    6   1.00
                 12.1789000             -0.0074300
                  5.6848400              0.0541370
                  1.4398300             -0.1762270
                  0.6789090             -0.2096540
                  0.3025150              0.0734980
                  0.1073070              0.6070490
            P    6   1.00
                 12.1789000             -0.0116300
                  5.6848400              0.0854050
                  1.4398300             -0.2844050
                  0.6789090             -0.3578760
                  0.3025150              0.3260330
                  0.1073070              0.7801240
            P    1   1.00
                  0.0381770              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  5.7601300             -0.0164110
                  2.3642400              0.1344070
                  1.0887100              0.3547260
                  0.4740600              0.4044790
                  0.1936070              0.2788770
            D    5   1.00
                  5.7601300              0.0169910
                  2.3642400             -0.1548960
                  1.0887100             -0.4281920
                  0.4740600             -0.1789920
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            D    1   1.00
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            D    1   1.00
                  0.0264000              1.0000000
            F    1   1.00
                  0.7228000              1.0000000
            F    1   1.00
                  0.2272000              1.0000000
            ****
            -Ru     0
            S    7   1.00
                159.3720000              0.0006730
                 20.9016000             -0.0371610
                 13.0741000              0.1665170
                  4.7147400             -0.6159540
                  1.1361200              0.8428300
                  0.5154640              0.4477630
                  0.1067670              0.0184450
            S    7   1.00
                159.3720000             -0.0001690
                 20.9016000              0.0093920
                 13.0741000             -0.0477130
                  4.7147400              0.2011130
                  1.1361200             -0.3734210
                  0.5154640             -0.2738590
                  0.1067670              0.6093840
            S    7   1.00
                159.3720000              0.0008950
                 20.9016000             -0.0396350
                 13.0741000              0.1442430
                  4.7147400             -0.5192870
                  1.1361200              1.5854040
                  0.5154640             -0.9082030
                  0.1067670             -1.4720020
            S    1   1.00
                  0.0392180              1.0000000
            S    1   1.00
                  0.0144000              1.0000000
            P    6   1.00
                 12.8738000              0.0299680
                  6.1475000             -0.1879300
                  1.5652400              0.4999900
                  0.7361940              0.4957320
                  0.3263170              0.1475150
                  0.1124070              0.0060880
            P    6   1.00
                 12.8738000             -0.0078010
                  6.1475000              0.0536560
                  1.5652400             -0.1719400
                  0.7361940             -0.1991700
                  0.3263170              0.0744110
                  0.1124070              0.5971370
            P    6   1.00
                 12.8738000             -0.0135020
                  6.1475000              0.0937330
                  1.5652400             -0.3159100
                  0.7361940             -0.3618000
                  0.3263170              0.4008770
                  0.1124070              0.7537660
            P    1   1.00
                  0.0391720              1.0000000
            P    1   1.00
                  0.0137000              1.0000000
            D    5   1.00
                  6.2126500             -0.0245970
                  2.7853900              0.1273340
                  1.2685100              0.3570810
                  0.5517900              0.4082070
                  0.2247310              0.2812400
            D    5   1.00
                  6.2126500              0.0261160
                  2.7853900             -0.1459400
                  1.2685100             -0.4425210
                  0.5517900             -0.1690200
                  0.2247310              0.5052370
            D    1   1.00
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            D    1   1.00
                  0.0302000              1.0000000
            F    1   1.00
                  0.8500000              1.0000000
            F    1   1.00
                  0.2719000              1.0000000
            ****
            -Rh     0
            S    7   1.00
                184.6660000              0.0006920
                 21.9974000             -0.0383930
                 13.7616000              0.1760190
                  5.0872000             -0.6299250
                  1.2294000              0.8495440
                  0.5568140              0.4457290
                  0.1140670              0.0182040
            S    7   1.00
                184.6660000             -0.0001780
                 21.9974000              0.0094560
                 13.7616000             -0.0494720
                  5.0872000              0.2018670
                  1.2294000             -0.3698090
                  0.5568140             -0.2653310
                  0.1140670              0.5891540
            S    7   1.00
                184.6660000              0.0008370
                 21.9974000             -0.0402860
                 13.7616000              0.1506490
                  5.0872000             -0.5268510
                  1.2294000              1.5723820
                  0.5568140             -0.8876430
                  0.1140670             -1.4709450
            S    1   1.00
                  0.0414150              1.0000000
            S    1   1.00
                  0.0150000              1.0000000
            P    6   1.00
                 13.6985000              0.0318210
                  6.6247600             -0.1930280
                  1.6961300              0.5062420
                  0.7973510              0.4949020
                  0.3520340              0.1440300
                  0.1233420              0.0056080
            P    6   1.00
                 13.6985000             -0.0085830
                  6.6247600              0.0568110
                  1.6961300             -0.1801720
                  0.7973510             -0.2034110
                  0.3520340              0.0848180
                  0.1233420              0.6010570
            P    6   1.00
                 13.6985000             -0.0151640
                  6.6247600              0.1011250
                  1.6961300             -0.3456410
                  0.7973510             -0.3454850
                  0.3520340              0.4221020
                  0.1233420              0.7304790
            P    1   1.00
                  0.0431300              1.0000000
            P    1   1.00
                  0.0151000              1.0000000
            D    5   1.00
                 18.7370000              0.0064810
                 11.7046000             -0.0139420
                  2.2555800              0.2506820
                  0.9494110              0.4511110
                  0.3661640              0.3839990
            D    5   1.00
                 18.7370000             -0.0075900
                 11.7046000              0.0162940
                  2.2555800             -0.3347730
                  0.9494110             -0.4463960
                  0.3661640              0.3299670
            D    1   1.00
                  0.1239770              1.0000000
            D    1   1.00
                  0.0420000              1.0000000
            F    1   1.00
                  0.9936000              1.0000000
            F    1   1.00
                  0.3222000              1.0000000
            ****
            -Pd     0
            S    7   1.00
                208.1230000              0.0007270
                 22.8525000             -0.0409280
                 14.2986000              0.1922850
                  5.4880100             -0.6501040
                  1.3253200              0.8565530
                  0.5989570              0.4438760
                  0.1209830              0.0178500
            S    7   1.00
                208.1230000             -0.0001890
                 22.8525000              0.0098180
                 14.2986000             -0.0528760
                  5.4880100              0.2035110
                  1.3253200             -0.3639350
                  0.5989570             -0.2582190
                  0.1209830              0.5704320
            S    7   1.00
                208.1230000              0.0008000
                 22.8525000             -0.0417810
                 14.2986000              0.1593620
                  5.4880100             -0.5231230
                  1.3253200              1.4917730
                  0.5989570             -0.7916960
                  0.1209830             -1.5172540
            S    1   1.00
                  0.0434590              1.0000000
            S    1   1.00
                  0.0156000              1.0000000
            P    6   1.00
                 14.0509000              0.0379970
                  7.1390600             -0.2040770
                  1.8300700              0.5137680
                  0.8583350              0.4942400
                  0.3772750              0.1402910
                  0.1256960              0.0051570
            P    6   1.00
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            -I     0
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            -Xe     0
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                 11.7533000             -0.1437480
                  4.5708900              0.2705360
                  0.9478400             -0.4015970
                  0.4340380             -0.3195670
                  0.1050310              0.6651050
            S    7   1.00
                 29.8670000              0.0324720
                 18.7203000             -0.1723550
                 11.7533000              0.3341840
                  4.5708900             -0.5725580
                  0.9478400              1.3652610
                  0.4340380             -0.6032250
                  0.1050310             -1.7315730
            S    1   1.00
                  0.0389480              1.0000000
            S    1   1.00
                  0.0144000              1.0000000
            P    6   1.00
                  7.3652400              0.1796820
                  4.7544000             -0.5211000
                  2.9959500              0.1911040
                  0.9941230              0.6464550
                  0.4196000              0.4240400
                  0.1182390              0.0425600
            P    6   1.00
                  7.3652400             -0.0508780
                  4.7544000              0.1495500
                  2.9959500             -0.0507540
                  0.9941230             -0.2483790
                  0.4196000             -0.1478010
                  0.1182390              0.5415390
            P    6   1.00
                  7.3652400             -0.0697670
                  4.7544000              0.2016550
                  2.9959500             -0.0482900
                  0.9941230             -0.4247200
                  0.4196000             -0.1275720
                  0.1182390              0.9415430
            P    1   1.00
                  0.0401010              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  7.5616000              0.0178690
                  4.7408700             -0.0661360
                  1.1697500              0.2554580
                  0.4793100              0.4454920
                  0.1837040              0.4029670
            D    5   1.00
                  7.5616000             -0.0205840
                  4.7408700              0.0780240
                  1.1697500             -0.3544000
                  0.4793100             -0.5155940
                  0.1837040              0.4207610
            D    1   1.00
                  0.0644090              1.0000000
            D    1   1.00
                  0.0226000              1.0000000
            F    1   1.00
                  0.3735000              1.0000000
            F    1   1.00
                  0.1286000              1.0000000
            ****
            -W     0
            S    7   1.00
                 31.1844000              0.0268990
                 19.5385000             -0.1892380
                 12.2602000              0.4339650
                  4.7203700             -0.8043720
                  1.0095700              0.9015400
                  0.4634560              0.4101950
                  0.1137920              0.0110440
            S    7   1.00
                 31.1844000             -0.0086330
                 19.5385000              0.0609770
                 12.2602000             -0.1418640
                  4.7203700              0.2797320
                  1.0095700             -0.4285050
                  0.4634560             -0.3050150
                  0.1137920              0.6713040
            S    7   1.00
                 31.1844000              0.0314780
                 19.5385000             -0.1676990
                 12.2602000              0.3282920
                  4.7203700             -0.5865250
                  1.0095700              1.4154490
                  0.4634560             -0.6488270
                  0.1137920             -1.6892530
            S    1   1.00
                  0.0416420              1.0000000
            S    1   1.00
                  0.0152000              1.0000000
            P    6   1.00
                  7.7873800              0.1852090
                  5.0493000             -0.5283120
                  3.1860200              0.1871580
                  1.0593700              0.6560130
                  0.4491060              0.4179250
                  0.1276250              0.0409650
            P    6   1.00
                  7.7873800             -0.0535080
                  5.0493000              0.1546790
                  3.1860200             -0.0504270
                  1.0593700             -0.2604500
                  0.4491060             -0.1384050
                  0.1276250              0.5459010
            P    6   1.00
                  7.7873800             -0.0749390
                  5.0493000              0.2120220
                  3.1860200             -0.0424460
                  1.0593700             -0.4793750
                  0.4491060             -0.0766750
                  0.1276250              0.9477960
            P    1   1.00
                  0.0427440              1.0000000
            P    1   1.00
                  0.0143000              1.0000000
            D    5   1.00
                  8.3098300              0.0219490
                  5.2246300             -0.0773760
                  1.2952900              0.2632410
                  0.5397610              0.4595460
                  0.2089270              0.3922120
            D    5   1.00
                  8.3098300             -0.0263810
                  5.2246300              0.0952520
                  1.2952900             -0.3960520
                  0.5397610             -0.5079960
                  0.2089270              0.5236000
            D    1   1.00
                  0.0731130              1.0000000
            D    1   1.00
                  0.0256000              1.0000000
            F    1   1.00
                  0.4769000              1.0000000
            F    1   1.00
                  0.1768000              1.0000000
            ****
            -Re     0
            S    7   1.00
                 33.0133000              0.0221330
                 20.6658000             -0.1618310
                 12.9498000              0.3812300
                  4.7782300             -0.7875220
                  1.0858000              0.8980810
                  0.5000250              0.4224690
                  0.1210690              0.0172060
            S    7   1.00
                 33.0133000             -0.0070680
                 20.6658000              0.0530520
                 12.9498000             -0.1282310
                  4.7782300              0.2853960
                  1.0858000             -0.4487810
                  0.5000250             -0.2976680
                  0.1210690              0.6634730
            S    7   1.00
                 33.0133000              0.0274240
                 20.6658000             -0.1468310
                 12.9498000              0.2908580
                  4.7782300             -0.5801000
                  1.0858000              1.4204980
                  0.5000250             -0.6321790
                  0.1210690             -1.6875030
            S    1   1.00
                  0.0438810              1.0000000
            S    1   1.00
                  0.0159000              1.0000000
            P    6   1.00
                  8.6759800              0.1394900
                  5.6538200             -0.3569770
                  1.4063900              0.4818040
                  0.6920560              0.5117960
                  0.3163520              0.1708180
                  0.1093090              0.0097820
            P    6   1.00
                  8.6759800             -0.0412390
                  5.6538200              0.1083450
                  1.4063900             -0.1688840
                  0.6920560             -0.2386860
                  0.3163520              0.0632430
                  0.1093090              0.6102210
            P    6   1.00
                  8.6759800             -0.0651350
                  5.6538200              0.1725300
                  1.4063900             -0.2649320
                  0.6920560             -0.4743410
                  0.3163520              0.3991830
                  0.1093090              0.8030920
            P    1   1.00
                  0.0385810              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  8.6719700              0.0171910
                  5.4414200             -0.0665390
                  1.3750800              0.2711570
                  0.5838300              0.4487710
                  0.2293620              0.3778590
            D    5   1.00
                  8.6719700             -0.0203340
                  5.4414200              0.0775390
                  1.3750800             -0.3686920
                  0.5838300             -0.4745880
                  0.2293620              0.4599950
            D    1   1.00
                  0.0808850              1.0000000
            D    1   1.00
                  0.0285000              1.0000000
            F    1   1.00
                  0.5533000              1.0000000
            F    1   1.00
                  0.2126000              1.0000000
            ****
            -Os     0
            S    7   1.00
                 34.5933000              0.0194050
                 21.6442000             -0.1468750
                 13.5521000              0.3551890
                  4.8950800             -0.7883690
                  1.1634600              0.9033000
                  0.5380840              0.4302560
                  0.1306730              0.0181640
            S    7   1.00
                 34.5933000             -0.0059240
                 21.6442000              0.0475810
                 13.5521000             -0.1198590
                  4.8950800              0.2905900
                  1.1634600             -0.4633260
                  0.5380840             -0.2910580
                  0.1306730              0.6489970
            S    7   1.00
                 34.5933000              0.0286790
                 21.6442000             -0.1533520
                 13.5521000              0.3066570
                  4.8950800             -0.6590400
                  1.1634600              1.6880660
                  0.5380840             -0.9098660
                  0.1306730             -1.5178370
            S    1   1.00
                  0.0469820              1.0000000
            S    1   1.00
                  0.0169000              1.0000000
            P    6   1.00
                  9.1259400              0.1316100
                  5.8907300             -0.3487910
                  1.4397800              0.5276330
                  0.6929760              0.5000040
                  0.3084380              0.1387070
                  0.1086800              0.0055910
            P    6   1.00
                  9.1259400             -0.0379630
                  5.8907300              0.1036120
                  1.4397800             -0.1857190
                  0.6929760             -0.2213770
                  0.3084380              0.0960590
                  0.1086800              0.6029380
            P    6   1.00
                  9.1259400             -0.0676070
                  5.8907300              0.1858450
                  1.4397800             -0.3480470
                  0.6929760             -0.4511480
                  0.3084380              0.5586130
                  0.1086800              0.7068530
            P    1   1.00
                  0.0381830              1.0000000
            P    1   1.00
                  0.0134000              1.0000000
            D    5   1.00
                  9.3395000              0.0158420
                  5.8557100             -0.0635100
                  1.4647600              0.2828700
                  0.6312200              0.4507810
                  0.2506620              0.3664550
            D    5   1.00
                  9.3395000             -0.0209240
                  5.8557100              0.0807150
                  1.4647600             -0.4242800
                  0.6312200             -0.4620180
                  0.2506620              0.5555660
            D    1   1.00
                  0.0891640              1.0000000
            D    1   1.00
                  0.0317000              1.0000000
            F    1   1.00
                  0.6278000              1.0000000
            F    1   1.00
                  0.2478000              1.0000000
            ****
            -Ir     0
            S    7   1.00
                 36.0577000              0.0172890
                 22.5516000             -0.1359910
                 14.1116000              0.3386690
                  5.0447500             -0.7941690
                  1.2441700              0.9080010
                  0.5769240              0.4378070
                  0.1394660              0.0187690
            S    7   1.00
                 36.0577000             -0.0049480
                 22.5516000              0.0431240
                 14.1116000             -0.1138030
                  5.0447500              0.2953180
                  1.2441700             -0.4732180
                  0.5769240             -0.2840000
                  0.1394660              0.6351880
            S    7   1.00
                 36.0577000              0.0290550
                 22.5516000             -0.1546790
                 14.1116000              0.3116730
                  5.0447500             -0.7039290
                  1.2441700              1.8161160
                  0.5769240             -1.0291110
                  0.1394660             -1.4393180
            S    1   1.00
                  0.0497400              1.0000000
            S    1   1.00
                  0.0177000              1.0000000
            P    6   1.00
                  9.5858000              0.1256510
                  6.1408800             -0.3433060
                  1.4976000              0.5536780
                  0.7141440              0.4910420
                  0.3120660              0.1228370
                  0.1151600              0.0033780
            P    6   1.00
                  9.5858000             -0.0379390
                  6.1408800              0.1069870
                  1.4976000             -0.2083670
                  0.7141440             -0.2217720
                  0.3120660              0.1266520
                  0.1151600              0.6103680
            P    6   1.00
                  9.5858000             -0.0740030
                  6.1408800              0.2101790
                  1.4976000             -0.4612670
                  0.7141440             -0.3768670
                  0.3120660              0.6521120
                  0.1151600              0.6073860
            P    1   1.00
                  0.0412770              1.0000000
            P    1   1.00
                  0.0148000              1.0000000
            D    5   1.00
                  9.9606900              0.0154630
                  6.2430300             -0.0631200
                  1.5631700              0.2923090
                  0.6819400              0.4527480
                  0.2734460              0.3571590
            D    5   1.00
                  9.9606900             -0.0198010
                  6.2430300              0.0777020
                  1.5631700             -0.4252400
                  0.6819400             -0.4331870
                  0.2734460              0.4752470
            D    1   1.00
                  0.0980080              1.0000000
            D    1   1.00
                  0.0351000              1.0000000
            F    1   1.00
                  0.7127000              1.0000000
            F    1   1.00
                  0.2898000              1.0000000
            ****
            -Pt     0
            S    7   1.00
                 37.3750000              0.0156980
                 23.3685000             -0.1285150
                 14.6164000              0.3299960
                  5.2209620             -0.8039770
                  1.3267320              0.9127650
                  0.6163210              0.4444260
                  0.1480680              0.0192250
            S    7   1.00
                 37.3750000             -0.0041400
                 23.3685000              0.0396870
                 14.6164000             -0.1100630
                  5.2209620              0.3003960
                  1.3267320             -0.4809750
                  0.6163210             -0.2769970
                  0.1480680              0.6216130
            S    7   1.00
                 37.3750000              0.0303040
                 23.3685000             -0.1595530
                 14.6164000              0.3222870
                  5.2209620             -0.7469090
                  1.3267320              1.9183060
                  0.6163210             -1.1164460
                  0.1480680             -1.3836520
            S    1   1.00
                  0.0523910              1.0000000
            S    1   1.00
                  0.0185000              1.0000000
            P    6   1.00
                  9.9926800              0.1240460
                  6.3831700             -0.3446320
                  1.5696500              0.5711200
                  0.7427790              0.4873560
                  0.3180200              0.1119590
                  0.1141460              0.0019280
            P    6   1.00
                  9.9926800             -0.0346870
                  6.3831700              0.0999320
                  1.5696500             -0.2018840
                  0.7427790             -0.1984590
                  0.3180200              0.1230340
                  0.1141460              0.5955770
            P    6   1.00
                  9.9926800             -0.0771530
                  6.3831700              0.2234940
                  1.5696500             -0.5228040
                  0.7427790             -0.3298980
                  0.3180200              0.7297730
                  0.1141460              0.5372880
            P    1   1.00
                  0.0398630              1.0000000
            P    1   1.00
                  0.0139000              1.0000000
            D    5   1.00
                 10.4126000              0.0150800
                  6.5226600             -0.0622950
                  1.6643000              0.3006490
                  0.7342080              0.4539610
                  0.2974070              0.3490010
            D    5   1.00
                 10.4126000             -0.0198660
                  6.5226600              0.0796630
                  1.6643000             -0.4687940
                  0.7342080             -0.4051740
                  0.2974070              0.5192890
            D    1   1.00
                  0.1075990              1.0000000
            D    1   1.00
                  0.0389000              1.0000000
            F    1   1.00
                  0.8018000              1.0000000
            F    1   1.00
                  0.3357000              1.0000000
            ****
            -Au     0
            S    8   1.00
                 38.0008000              0.0200090
                 23.9725000             -0.1516790
                 15.2182000              0.3639600
                  5.5399900             -0.8213260
                  1.3855100              0.9366410
                  0.6424610              0.4235270
                  0.1564960              0.0162500
                  0.0549100             -0.0009780
            S    8   1.00
                 38.0008000             -0.0053040
                 23.9725000              0.0463180
                 15.2182000             -0.1199400
                  5.5399900              0.3040620
                  1.3855100             -0.4945010
                  0.6424610             -0.2555160
                  0.1564960              0.6091630
                  0.0549100              0.5977670
            S    8   1.00
                 38.0008000              0.0323400
                 23.9725000             -0.1717620
                 15.2182000              0.3395030
                  5.5399900             -0.7461790
                  1.3855100              1.9174980
                  0.6424610             -1.1299310
                  0.1564960             -1.3662840
                  0.0549100              1.4423910
            S    1   1.00
                  0.0549100              1.0000000
            S    1   1.00
                  0.0193000              1.0000000
            P    7   1.00
                 10.3092000              0.1282170
                  6.6276500             -0.3537900
                  1.6744700              0.5662110
                  0.8011160              0.4931710
                  0.3468790              0.1137750
                  0.1227010              0.0025340
                  0.0424280              0.0006790
            P    7   1.00
                 10.3092000             -0.0358850
                  6.6276500              0.1028900
                  1.6744700             -0.2009880
                  0.8011160             -0.2010450
                  0.3468790              0.1165490
                  0.1227010              0.5949690
                  0.0424280              0.4555200
            P    7   1.00
                 10.3092000             -0.0772420
                  6.6276500              0.2226110
                  1.6744700             -0.4953530
                  0.8011160             -0.3607470
                  0.3468790              0.7100000
                  0.1227010              0.5688390
                  0.0424280              0.0011930
            P    1   1.00
                  0.0424280              1.0000000
            P    1   1.00
                  0.0147000              1.0000000
            D    6   1.00
                 11.0027000              0.0164670
                  6.8916600             -0.0680130
                  1.8080800              0.2994920
                  0.8210510              0.4543030
                  0.3441610              0.3442240
                  0.1297430              0.1212560
            D    6   1.00
                 11.0027000             -0.0236280
                  6.8916600              0.0956720
                  1.8080800             -0.5412940
                  0.8210510             -0.3955330
                  0.3441610              0.6191650
                  0.1297430              0.4682760
            D    1   1.00
                  0.1297430              1.0000000
            D    1   1.00
                  0.0489000              1.0000000
            F    1   1.00
                  0.8919000              1.0000000
            F    1   1.00
                  0.3789000              1.0000000
            ****
            -Hg     0
            S    8   1.00
                 41.4804000              0.0100720
                 22.5328000             -0.1147810
                 14.0790000              0.3564080
                  5.7247400             -0.8484430
                  1.4794800              0.9405960
                  0.6882660              0.4353290
                  0.1641810              0.0131780
                  0.0572230             -0.0023140
            S    8   1.00
                 41.4804000              0.0020320
                 22.5328000             -0.0323140
                 14.0790000              0.1153500
                  5.7247400             -0.3177630
                  1.4794800              0.5135230
                  0.6882660              0.2500500
                  0.1641810             -0.6488410
                  0.0572230             -0.5599430
            S    8   1.00
                 41.4804000              0.0218280
                 22.5328000             -0.1555640
                 14.0790000              0.3860250
                  5.7247400             -0.8961040
                  1.4794800              2.3321950
                  0.6882660             -1.5976600
                  0.1641810             -1.0536460
                  0.0572230              1.2895360
            S    1   1.00
                  0.0572230              1.0000000
            S    1   1.00
                  0.0199000              1.0000000
            P    7   1.00
                 10.5805000              0.1286920
                  6.8053900             -0.3608420
                  1.7901600              0.5641170
                  0.8622610              0.5002740
                  0.3752770              0.1137850
                  0.1284210              0.0029390
                  0.0434470              0.0004880
            P    7   1.00
                 10.5805000             -0.0344430
                  6.8053900              0.1009290
                  1.7901600             -0.1924390
                  0.8622610             -0.1960690
                  0.3752770              0.1042040
                  0.1284210              0.5873870
                  0.0434470              0.4727830
            P    7   1.00
                 10.5805000              0.0714680
                  6.8053900             -0.2108590
                  1.7901600              0.4452040
                  0.8622610              0.3916080
                  0.3752770             -0.6670830
                  0.1284210             -0.6195740
                  0.0434470             -0.0009090
            P    1   1.00
                  0.0434470              1.0000000
            P    1   1.00
                  0.0147000              1.0000000
            D    6   1.00
                 11.5841000              0.0167290
                  7.2487900             -0.0695580
                  1.9366200              0.3034370
                  0.8987480              0.4548780
                  0.3869310              0.3368080
                  0.1504660              0.1130160
            D    6   1.00
                 11.5841000             -0.0249840
                  7.2487900              0.1041030
                  1.9366200             -0.6169860
                  0.8987480             -0.3538260
                  0.3869310              0.6872800
                  0.1504660              0.3930900
            D    1   1.00
                  0.1504660              1.0000000
            D    1   1.00
                  0.0585000              1.0000000
            F    1   1.00
                  0.9974000              1.0000000
            F    1   1.00
                  0.4377000              1.0000000
            ****
            -Tl     0
            S    8   1.00
                 36.1096000              0.0229790
                 22.5732000             -0.1728970
                 14.1144000              0.4807030
                  6.1597600             -0.9532140
                  1.5706900              0.9608670
                  0.7459610              0.4319720
                  0.1958840              0.0131990
                  0.0710030             -0.0021060
            S    8   1.00
                 36.1096000              0.0059010
                 22.5732000             -0.0544410
                 14.1144000              0.1709120
                  6.1597600             -0.3868060
                  1.5706900              0.5717530
                  0.7459610              0.2895580
                  0.1958840             -0.7163850
                  0.0710030             -0.5289600
            S    1   1.00
                  0.1958840              1.0000000
            S    1   1.00
                  0.0710030              1.0000000
            S    1   1.00
                  0.0206000              1.0000000
            P    6   1.00
                 10.3856000              0.1621170
                  7.0093900             -0.4046950
                  1.7768800              0.6949780
                  0.7479420              0.4664960
                  0.1768080              0.0280130
                  0.0515320             -0.0041730
            P    6   1.00
                 10.3856000             -0.0391990
                  7.0093900              0.1017260
                  1.7768800             -0.2199420
                  0.7479420             -0.1194500
                  0.1768080              0.4597680
                  0.0515320              0.6763890
            P    1   1.00
                  0.0515320              1.0000000
            P    1   1.00
                  0.0130000              1.0000000
            D    6   1.00
                 10.9087000              0.0217120
                  6.8364900             -0.0832690
                  1.9974900              0.3418070
                  0.9144720              0.4833160
                  0.3895180              0.3047550
                  0.1501000              0.0649830
            D    1   1.00
                  0.1501000              1.0000000
            D    1   1.00
                  0.0437000              1.0000000
            ****
            -Pb     0
            S    8   1.00
                 37.4583000              0.0248240
                 23.3170000             -0.1810620
                 14.5759000              0.5007060
                  6.4337600             -0.9797370
                  1.6671900              0.9666300
                  0.8077320              0.4364870
                  0.2270840              0.0136860
                  0.0842520             -0.0020210
            S    8   1.00
                 37.4583000              0.0067850
                 23.3170000             -0.0601870
                 14.5759000              0.1889710
                  6.4337600             -0.4248380
                  1.6671900              0.6220350
                  0.8077320              0.3160880
                  0.2270840             -0.7594740
                  0.0842520             -0.5151310
            S    1   1.00
                  0.2270840              1.0000000
            S    1   1.00
                  0.0842520              1.0000000
            S    1   1.00
                  0.0278000              1.0000000
            P    6   1.00
                 10.6186000              0.1701740
                  7.1878100             -0.4241790
                  1.8943900              0.6934430
                  0.8167090              0.4737730
                  0.2036880              0.0290470
                  0.0649730             -0.0043860
            P    6   1.00
                 10.6186000             -0.0479540
                  7.1878100              0.1245560
                  1.8943900             -0.2597760
                  0.8167090             -0.1414800
                  0.2036880              0.5317690
                  0.0649730              0.6087590
            P    1   1.00
                  0.0649730              1.0000000
            P    1   1.00
                  0.0197000              1.0000000
            D    6   1.00
                 13.7266000              0.0107870
                  6.9898300             -0.0666500
                  2.1735200              0.3342590
                  1.0281200              0.4826840
                  0.4558570              0.3004140
                  0.1822000              0.0632580
            D    1   1.00
                  0.1822000              1.0000000
            D    1   1.00
                  0.0609000              1.0000000
            ****
            -Bi     0
            S    8   1.00
                211.8210000              0.0010880
                 21.3262000             -0.1058620
                 13.3654000              0.5308080
                  6.9461000             -1.0502650
                  1.7122900              0.9958560
                  0.8391070              0.3989520
                  0.2553640              0.0117780
                  0.0967000             -0.0014700
            S    8   1.00
                211.8210000              0.0004220
                 21.3262000             -0.0385370
                 13.3654000              0.2172380
                  6.9461000             -0.4810970
                  1.7122900              0.7015950
                  0.8391070              0.2905200
                  0.2553640             -0.7997780
                  0.0967000             -0.4961310
            S    1   1.00
                  0.2553640              1.0000000
            S    1   1.00
                  0.0967000              1.0000000
            S    1   1.00
                  0.0317000              1.0000000
            P    6   1.00
                 11.0644000              0.1672490
                  7.4500000             -0.4252620
                  2.0106900              0.6925250
                  0.8883210              0.4753740
                  0.2363690              0.0298590
                  0.0792900             -0.0044930
            P    6   1.00
                 11.0644000             -0.0522010
                  7.4500000              0.1390830
                  2.0106900             -0.2935560
                  0.8883210             -0.1585740
                  0.2363690              0.5743620
                  0.0792900              0.5726780
            P    1   1.00
                  0.0792900              1.0000000
            P    1   1.00
                  0.0254000              1.0000000
            D    6   1.00
                 16.2461000              0.0078080
                  6.9836300             -0.0668310
                  2.3747600              0.3241400
                  1.1537200              0.4858310
                  0.5259740              0.3010560
                  0.2151000              0.0631960
            D    1   1.00
                  0.2151000              1.0000000
            D    1   1.00
                  0.0745000              1.0000000
            ****
            -Po     0
            S    8   1.00
                295.3900000              0.0013830
                 21.2683000             -0.1050610
                 13.3379000              0.5914250
                  7.3652100             -1.1156970
                  1.7892000              1.0191620
                  0.8849940              0.3798790
                  0.2857870              0.0107810
                  0.1093240             -0.0011440
            S    8   1.00
                295.3900000              0.0006830
                 21.2683000             -0.0385730
                 13.3379000              0.2519580
                  7.3652100             -0.5330160
                  1.7892000              0.7669010
                  0.8849940              0.2818780
                  0.2857870             -0.8394770
                  0.1093240             -0.4792720
            S    1   1.00
                  0.2857870              1.0000000
            S    1   1.00
                  0.1093240              1.0000000
            S    1   1.00
                  0.0359000              1.0000000
            P    6   1.00
                 11.5069000              0.1663640
                  7.7299100             -0.4272350
                  2.1189400              0.6969640
                  0.9553230              0.4713590
                  0.2683520              0.0299870
                  0.0884940             -0.0034870
            P    6   1.00
                 11.5069000             -0.0559100
                  7.7299100              0.1511230
                  2.1189400             -0.3261600
                  0.9553230             -0.1614090
                  0.2683520              0.6016150
                  0.0884940              0.5559720
            P    1   1.00
                  0.0884940              1.0000000
            P    1   1.00
                  0.0278000              1.0000000
            D    6   1.00
                 18.7130000              0.0066940
                  7.0570800             -0.0671040
                  2.5506200              0.3257980
                  1.2506900              0.4957630
                  0.5742560              0.2931060
                  0.2330000              0.0541620
            D    1   1.00
                  0.2330000              1.0000000
            D    1   1.00
                  0.0895000              1.0000000
            ****
            -At     0
            S    8   1.00
                304.0310000              0.0010310
                 22.4085000             -0.1018690
                 14.0490000              0.5632730
                  7.5895000             -1.1045120
                  1.8949400              1.0263640
                  0.9523580              0.3833240
                  0.3170410              0.0113590
                  0.1224900             -0.0011400
            S    8   1.00
                304.0310000              0.0004960
                 22.4085000             -0.0387430
                 14.0490000              0.2490070
                  7.5895000             -0.5516910
                  1.8949400              0.8155580
                  0.9523580              0.2868020
                  0.3170410             -0.8682780
                  0.1224900             -0.4694960
            S    1   1.00
                  0.3170410              1.0000000
            S    1   1.00
                  0.1224900              1.0000000
            S    1   1.00
                  0.0404000              1.0000000
            P    6   1.00
                 12.0093000              0.1631810
                  8.0330000             -0.4244130
                  2.2239300              0.7031340
                  1.0213300              0.4641680
                  0.3012660              0.0302600
                  0.0999030             -0.0026180
            P    6   1.00
                 12.0093000             -0.0583630
                  8.0330000              0.1606310
                  2.2239300             -0.3589420
                  1.0213300             -0.1621230
                  0.3012660              0.6248880
                  0.0999030              0.5397840
            P    1   1.00
                  0.0999030              1.0000000
            P    1   1.00
                  0.0313000              1.0000000
            D    6   1.00
                 21.3084000              0.0061410
                  7.0207600             -0.0706690
                  2.7689800              0.3190200
                  1.3731400              0.5044700
                  0.6368040              0.2924810
                  0.2593000              0.0514950
            D    1   1.00
                  0.2593000              1.0000000
            D    1   1.00
                  0.1073000              1.0000000
            ****
            -Rn     0
            S    8   1.00
                383.5850000              0.0015720
                 23.2936000             -0.0761810
                 14.6096000              0.4785080
                  7.7319900             -1.0439020
                  1.9942400              1.0190710
                  1.0240700              0.3914520
                  0.3454220              0.0127820
                  0.1350810             -0.0012970
            S    8   1.00
                383.5850000              0.0009020
                 23.2936000             -0.0265350
                 14.6096000              0.2148510
                  7.7319900             -0.5453780
                  1.9942400              0.8694020
                  1.0240700              0.2728620
                  0.3454220             -0.8929670
                  0.1350810             -0.4539150
            S    1   1.00
                  0.3454220              1.0000000
            S    1   1.00
                  0.1350810              1.0000000
            S    1   1.00
                  0.0449000              1.0000000
            P    6   1.00
                 12.4992000              0.1629940
                  8.3397600             -0.4262290
                  2.3359100              0.7107760
                  1.0901900              0.4580860
                  0.3348980              0.0292130
                  0.1125460             -0.0031070
            P    6   1.00
                 12.4992000             -0.0609340
                  8.3397600              0.1694830
                  2.3359100             -0.3880550
                  1.0901900             -0.1612760
                  0.3348980              0.6446740
                  0.1125460              0.5255260
            P    1   1.00
                  0.1125460              1.0000000
            P    1   1.00
                  0.0348000              1.0000000
            D    6   1.00
                 24.1705000              0.0058780
                  6.9459900             -0.0765200
                  3.0380900              0.3071660
                  1.5168400              0.5141680
                  0.7091570              0.2972850
                  0.2888000              0.0512000
            D    1   1.00
                  0.2888000              1.0000000
            D    1   1.00
                  0.1251000              1.0000000
            ****
            
            -Y     0
            Y-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      7.85827500           135.13497400
            2      3.38212800            15.41163200
            p-g potential
              4
            2      6.84979100            29.25143700
            2      6.71009200            58.50836300
            2      3.04215900             3.78024300
            2      2.93733000             7.67654700
            d-g potential
              4
            2      5.41631500            11.84991100
            2      5.33341600            17.77810300
            2      1.97621200             2.06238300
            2      1.96111100             3.07565000
            f-g potential
              2
            2      5.02859000            -6.92807800
            2      5.00558200            -9.15509900
            -ZR     0
            ZR-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      8.63652800           150.24299400
            2      3.71763900            18.78003600
            p-g potential
              4
            2      7.62672800            33.19279100
            2      7.45320700            66.38903900
            2      3.35838900             4.62072600
            2      3.22973800             9.26027000
            d-g potential
              4
            2      5.93808600            13.99338300
            2      5.82554400            20.99588200
            2      2.20501900             2.28516600
            2      2.20629200             3.44126000
            f-g potential
              2
            2      4.80021500            -5.23932000
            2      4.79899200            -6.98742400
            -NB     0
            NB-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      9.37657800           165.15673600
            2      4.04357200            21.82395100
            p-g potential
              4
            2      8.36360900            37.24928400
            2      8.16689800            74.50738900
            2      3.69307500             5.43948600
            2      3.55104700            10.91325200
            d-g potential
              4
            2      6.68910800            15.21454900
            2      6.53719300            22.83350800
            2      2.55111800             3.00005200
            2      2.56789600             4.55373400
            f-g potential
              2
            2      5.56828500            -6.28135400
            2      5.67137200            -8.75564400
            -MO     0
            MO-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     10.09700000           180.07685300
            2      4.37567000            24.71592000
            p-g potential
              4
            2      9.12656400            41.22767800
            2      8.86322300            82.45267000
            2      4.04494800             6.34509200
            2      3.86665700            12.45842300
            d-g potential
              4
            2      7.53575400            19.30874400
            2      7.27897600            28.97767400
            2      2.76320500             3.18951600
            2      2.77208500             4.70016900
            f-g potential
              2
            2      6.30663300            -7.17888800
            2      6.35644800            -9.74597800
            -TC     0
            TC-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     10.79936900           195.09130300
            2      4.70725700            27.34041300
            p-g potential
              4
            2      9.82669900            45.06081200
            2      9.56111500            90.11729500
            2      4.37857800             7.07051700
            2      4.19090700            14.04801900
            d-g potential
              4
            2      8.33604500            21.65775500
            2      8.24453300            32.47195900
            2      3.09370700             3.78952500
            2      3.16872200             6.05343000
            f-g potential
              2
            2      7.04094000            -7.99562300
            2      7.06947300           -10.74569600
            -RU     0
            RU-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     11.50059000           209.78649300
            2      5.06857500            30.21430700
            p-g potential
              4
            2     10.53263400            48.75124400
            2     10.19201000            97.49652900
            2      4.73489200             7.86018800
            2      4.50906500            15.32975100
            d-g potential
              4
            2      8.87797700            26.96750600
            2      8.76612200            40.43230300
            2      3.17019600             3.34075800
            2      3.22885100             5.25635200
            f-g potential
              2
            2      7.82024900            -8.84752500
            2      7.83964700           -11.83551800
            -RH     0
            RH-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.19481600           225.31205400
            2      5.40513700            32.44158200
            p-g potential
              4
            2     11.28075500            52.87282600
            2     10.92724800           105.74552600
            2      5.09011700             8.61934400
            2      4.85183200            16.97345900
            d-g potential
              4
            2      9.13633700            25.10850100
            2      8.96480800            37.69573100
            2      3.64361200             4.20258400
            2      3.63600700             6.29279000
            f-g potential
              2
            2      8.61622800            -9.67356800
            2      8.62943500           -12.89984700
            -PD     0
            PD-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.79882500           240.26278900
            2      5.80052800            34.72996100
            p-g potential
              4
            2     11.87469700            56.74692900
            2     11.47433500           113.44441700
            2      5.51599900             9.34563900
            2      5.24804300            18.34544700
            d-g potential
              4
            2      8.50221200            28.59555400
            2      7.98332400            43.45392100
            2      3.10762800             1.85228600
            2      2.47673400             1.40676500
            f-g potential
              2
            2      9.67957100           -10.98725500
            2      9.69134900           -14.62619000
            -AG     0
            AG-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.5677140            255.0547710
            2      6.9976620             36.9833930
            p-g potential
              4
            2     11.3164960             60.7157050
            2     10.9580630            121.4438890
            2      7.1114000             10.1718660
            2      6.7733190             20.4865640
            d-g potential
              4
            2      8.9284370             29.5049380
            2     11.1025670             44.0187360
            2      5.5432120              5.3683330
            2      3.9288350              7.4083750
            f-g potential
              2
            2     11.0129130            -12.6234030
            2     11.0198980            -16.7643270
            -CD     0
            CD-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     13.3551760            270.0394480
            2      7.3083780             38.8777660
            p-g potential
              4
            2     12.6597280             64.6074700
            2     12.2896390            129.2194450
            2      6.7861760             10.6225580
            2      6.4007430             21.2650460
            d-g potential
              4
            2     11.1617220             31.6639650
            2     11.2196150             47.4892160
            2      4.5377330              5.1862000
            2      4.3357270              7.5660630
            f-g potential
              2
            2     11.4789860            -12.6327850
            2     11.4870270            -16.7601710
            -IN     0
            IN-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     15.3928220            281.1223500
            2      8.0558640             61.9014700
            p-g potential
              4
            2     13.9286720             67.4621540
            2     13.3472340            134.9492500
            2      7.6141320             14.7461400
            2      7.3183650             29.6392620
            d-g potential
              4
            2     14.0347150             35.4932540
            2     14.5116160             53.1787730
            2      5.5505500              9.1772810
            2      5.0594150             12.3924100
            f-g potential
              2
            2     12.5390560            -13.7280780
            2     12.5525610            -18.2068660
            -SN     0
            SN-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     17.4204140            279.9886820
            2      7.6311550             62.3778100
            p-g potential
              4
            2     16.1310240             66.1625230
            2     15.6280770            132.1743960
            2      7.3256080             16.3394170
            2      6.9425190             32.4889590
            d-g potential
              4
            2     15.5149760             36.3874410
            2     15.1881600             54.5078410
            2      5.4560240              8.6968230
            2      5.3631050             12.8402080
            f-g potential
              2
            2     12.2823480            -12.5763330
            2     12.2721500            -16.5959440
            -SB     0
            SB-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     16.3308650            281.0715810
            2      8.5565420             61.7166040
            p-g potential
              4
            2     14.4703370             67.4573800
            2     13.8161940            134.9335030
            2      8.4249240             14.7163440
            2      8.0927280             29.5185120
            d-g potential
              4
            2     14.8863310             35.4478150
            2     15.1463190             53.1434660
            2      5.9082670              9.1792230
            2      5.5943220             13.2402530
            f-g potential
              2
            2     14.4449780            -15.3668010
            2     14.4492950            -20.2961380
            -TE     0
            TE-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     16.8144730            281.0458430
            2      8.7935260             61.6206560
            p-g potential
              4
            2     14.8778010             67.4494640
            2     14.2697310            134.9043040
            2      8.7244350             14.6895470
            2      8.2915150             29.4150630
            d-g potential
              4
            2     15.2050080             35.4320570
            2     15.2258480             53.1356870
            2      6.0717690              9.0698020
            2      5.8047600             13.1223040
            f-g potential
              2
            2     15.2061680            -15.7454500
            2     15.2017020            -20.7424480
            -I     0
            I-ECP     4     28
            g potential
              1
            2      1.00000000             0.00000000
            s-g potential
              3
            2     40.03337600            49.98964900
            2     17.30057600           281.00655600
            2      8.85172000            61.41673900
            p-g potential
              4
            2     15.72014100            67.41623900
            2     15.20822200           134.80769600
            2      8.29418600            14.56654800
            2      7.75394900            28.96842200
            d-g potential
              4
            2     13.81775100            35.53875600
            2     13.58780500            53.33975900
            2      6.94763000             9.71646600
            2      6.96009900            14.97750000
            f-g potential
              4
            2     18.52295000           -20.17661800
            2     18.25103500           -26.08807700
            2      7.55790100            -0.22043400
            2      7.59740400            -0.22164600
            -XE     0
            XE-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              3
            2     40.0051840             49.9979620
            2     17.8122140            281.0133030
            2      9.3041500             61.5382550
            p-g potential
              4
            2     15.7017720             67.4391420
            2     15.2586080            134.8747110
            2      9.2921840             14.6633000
            2      8.5590030             29.3547300
            d-g potential
              6
            2     15.1856000             35.4369080
            2     14.2845000             53.1957720
            2      7.1218890              9.0462320
            2      6.9919630             13.2236810
            2      0.6239460              0.0848530
            2      0.6472840              0.0441550
            f-g potential
              4
            2     20.8815570            -23.0892950
            2     20.7834430            -30.0744750
            2      5.2533890             -0.2882270
            2      5.3611880             -0.3869240
            -HF     0
            HF-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              3
            2     10.24885600           478.23740400
            4     10.72912700             0.38802400
            2      1.96485600            -1.07123200
            p-h potential
              6
            2      8.68346200           101.04681800
            2      7.91692000           212.19776100
            4      9.37924300             0.13264600
            4      8.24420900             0.45310800
            2      1.59668600            -0.40791400
            2      1.71028100            -0.56181700
            d-h potential
              6
            2      5.18955700            43.11546700
            2      5.25322900            65.93473200
            4      5.93787100             0.02591200
            4      5.71290600             0.03374100
            2      1.01485600            -0.28057900
            2      0.47371200            -0.08484900
            f-h potential
              2
            2      1.91260800             4.81180100
            2      1.88074000             6.41857400
            g-h potential
              2
            2      2.72418000            -4.63658500
            2      2.70895300            -5.76728800
            -TA     0
            TA-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              3
            2     10.31806900           454.60064900
            4     10.54026700             2.83797500
            2      2.57472600            -0.81473600
            p-h potential
              6
            2      8.74334200            96.91078300
            2      7.91622300           195.85043200
            4      9.27573600             4.81252400
            4      8.10167500             6.33851200
            2      2.07712700            -0.45917300
            2      2.75037200            -0.64458600
            d-h potential
              6
            2      5.44731400            45.96997600
            2      5.21254500            69.63897200
            4      5.88435800             0.80293300
            4      5.64957900             0.42959500
            2      1.38818000            -0.30722700
            2      1.29439800            -0.46156000
            f-h potential
              2
            2      2.16127500             5.75777300
            2      2.12593900             7.67816700
            g-h potential
              2
            2      3.14592000            -5.68406600
            2      3.12794200            -7.06231300
            -W     0
            W-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     11.06379500           419.22759900
            2      8.21764100            41.19130700
            p-h potential
              6
            2      9.33818800           107.34811000
            2      8.43044800           214.69956800
            4      9.49002000             0.02544200
            4      9.48994700             0.05189500
            2      1.88299700            -0.11718400
            2      1.90697200             0.29668900
            d-h potential
              6
            2      6.20543300            58.88127900
            2      6.12215700            98.68355600
            4      6.27455600             0.01953700
            4      6.22637500             0.02195600
            2      1.96387500            -0.08857700
            2      1.88828700            -0.20972600
            f-h potential
              2
            2      2.30795300             6.23247200
            2      2.27060900             8.31134500
            g-h potential
              2
            2      3.58349100            -6.80294400
            2      3.56251500            -8.44323200
            -RE     0
            RE-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     12.16381400           421.97030000
            2      7.10759500            50.13443900
            p-h potential
              4
            2      9.68459700            88.48191000
            2      9.47621400           176.78722000
            2      7.66806600            10.43433800
            2      5.05515600            20.45874300
            d-h potential
              4
            2      6.50988800            43.16243100
            2      6.09121600            64.76775900
            2      4.16400600             5.34030100
            2      4.40737900             8.24333200
            f-h potential
              2
            2      2.56265800             7.24454300
            2      2.52154900             9.65926600
            g-h potential
              2
            2      4.03459900            -7.97494000
            2      4.00962800            -9.88273600
            -OS     0
            OS-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     13.00200100           424.39037600
            2      6.96276300            57.12250300
            p-h potential
              4
            2     10.49894100            88.27900300
            2      9.99252300           176.48606400
            2      6.58824800            11.71501200
            2      5.03716700            22.91500600
            d-h potential
              4
            2      7.08344100            44.77770800
            2      6.72117900            67.15364800
            2      3.79462600             5.55038700
            2      3.74812500             8.22010400
            f-h potential
              2
            2      2.82627600             8.32833200
            2      2.78119800            11.10310200
            g-h potential
              2
            2      4.49698100            -9.18134300
            2      4.46773800           -11.36160400
            -IR     0
            IR-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     13.83147400           426.95814900
            2      7.04791400            65.33881300
            p-h potential
              4
            2     11.10643300            88.07544200
            2     10.45655200           176.12477000
            2      6.37961400            12.68226000
            2      5.06472600            24.63594900
            d-h potential
              4
            2      7.54875400            46.43325800
            2      7.26530800            69.63807400
            2      3.80096900             6.15024800
            2      3.71828000             9.46356000
            f-h potential
              2
            2      3.09870600             9.48361000
            2      3.04946100            12.64274200
            g-h potential
              2
            2      4.96979000           -10.41069700
            2      4.93561400           -12.86319600
            -PT     0
            PT-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     14.60450000           429.64608700
            2      7.21828700            73.15688400
            p-h potential
              4
            2     11.57716200            88.02291700
            2     10.88384300           175.99819600
            2      6.42440300            13.68227400
            2      5.22419800            27.41465100
            d-h potential
              4
            2      7.69961000            43.55785200
            2      7.55080800            65.36910800
            2      3.96116400             7.01859600
            2      3.87277700            11.39173300
            f-h potential
              2
            2      3.37986900            10.71022000
            2      3.32625500            14.27812500
            g-h potential
              2
            2      5.45202000           -11.65174900
            2      5.41258500           -14.37552500
            -AU     0
            AU-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.5232180            426.6418670
            2      6.2643840             36.8006680
            p-h potential
              4
            2     11.4138670             87.0020910
            2     10.3292150            174.0043700
            2      5.7074240              8.8706100
            2      4.8281650             17.9024380
            d-h potential
              4
            2      7.4309630             49.8836550
            2      8.3219900             74.6845490
            2      4.6096420              6.4862270
            2      3.5115070              9.5468210
            f-h potential
              2
            2      3.0846390              8.7916400
            2      3.0247430             11.6584560
            g-h potential
              2
            2      3.9784420             -5.2343370
            2      4.0114910             -6.7381420
            -HG     0
            HG-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.4130710            275.7747970
            2      6.8979130             49.2678980
            p-h potential
              4
            2     11.3103200             80.5069840
            2     10.2107730            161.0348240
            2      5.9398040              9.0834160
            2      5.0197550             18.3677730
            d-h potential
              4
            2      8.4078950             51.1372560
            2      8.2140860             76.7074590
            2      4.0126120              6.5618210
            2      3.7953980              9.8180700
            f-h potential
              2
            2      3.2731060              9.4290010
            2      3.2083210             12.4948560
            g-h potential
              2
            2      4.4852960             -6.3384140
            2      4.5132000             -8.0998630
            -TL     0
            TL-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.1678050            281.2846630
            2      8.2949090             62.4342510
            p-h potential
              4
            2      7.1514920              4.6334080
            2      5.1728650              9.3417560
            2      9.8910720             72.2992530
            2      9.0033910            144.5580370
            d-h potential
              4
            2      7.1302180             35.9430390
            2      6.9269060             53.9095930
            2      5.4175700             10.3819390
            2      5.1386810             15.5838220
            f-h potential
              4
            2      5.6263990             15.8254880
            2      5.5489520             21.1040210
            2      2.8749460              2.9151270
            2      2.8214510              3.8969030
            g-h potential
              4
            2      6.6790570             -7.4945340
            2      6.7068350             -9.5405750
            2      7.2092840             -7.7979920
            2      7.0709640             -9.2595240
            -PB     0
            PB-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.2963030            281.2854990
            2      8.6326340             62.5202170
            p-h potential
              4
            2     10.2417900             72.2768970
            2      8.9241760            144.5910830
            2      6.5813420              4.7586930
            2      6.2554030              9.9406210
            d-h potential
              4
            2      7.7543360             35.8485070
            2      7.7202810             53.7243420
            2      4.9702640             10.1152560
            2      4.5637890             14.8337310
            f-h potential
              2
            2      3.8875120             12.2098920
            2      3.8119630             16.1902910
            g-h potential
              2
            2      5.6915770             -9.0966650
            2      5.7155670            -11.5319960
            -BI     0
            BI-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.0430900            283.2642270
            2      8.2216820             62.4719590
            p-h potential
              4
            2     10.4677770             72.0014990
            2      9.1189010            144.0022770
            2      6.7547910              5.0079450
            2      6.2525920              9.9915500
            d-h potential
              4
            2      8.0814740             36.3962590
            2      7.8905950             54.5976640
            2      4.9555560              9.9842940
            2      4.7045590             14.9814850
            f-h potential
              2
            2      4.2145460             13.7133830
            2      4.1334000             18.1943080
            g-h potential
              2
            2      6.2057090            -10.2474430
            2      6.2277820            -12.9557100
            -PO     0
            PO-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.2772270            283.2447060
            2      8.3995180             62.3964610
            p-h potential
              4
            2     10.6656820             71.9917160
            2      9.2837530            143.9718710
            2      6.8727490              4.9496150
            2      6.3261500              9.7404990
            d-h potential
              4
            2      8.2148660             36.3783830
            2      8.0086960             54.5627150
            2      5.0552270              9.8894990
            2      4.7825530             14.6938770
            f-h potential
              4
            2      5.0132700             17.4282950
            2      4.9846400             23.3803530
            2      1.3267600              0.1633920
            2      1.5287580              0.3245660
            g-h potential
              2
            2      6.7715260            -11.5632940
            2      6.7779250            -14.5097880
            -AT     0
            AT-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              3
            2     30.2008320             49.9571580
            2     13.6123060            283.2103710
            2      8.5293400             62.2810520
            p-h potential
              4
            2     10.8540650             71.9823710
            2      9.4682290            143.9035320
            2      7.0311140              4.8717590
            2      6.1438580              8.9830590
            d-h potential
              4
            2      8.3135150             36.3632370
            2      7.9989650             54.5489700
            2      5.1799660              9.7762850
            2      4.9422260             14.2647550
            f-h potential
              4
            2      5.8121630             19.8701980
            2      5.7537150             26.4164520
            2      2.5134720              0.9949700
            2      2.5362610              1.4907010
            g-h potential
              4
            2      9.8957780            -22.2232030
            2      9.7373340            -26.7154760
            2      3.0133310             -0.3730440
            2      3.0977630             -0.4859460
            -RN     0
            RN-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              3
            2     30.1512420             49.9655510
            2     14.5212410            283.0700000
            2      8.0520380             62.0028700
            p-h potential
              4
            2     11.0099420             71.9691190
            2      9.6176250            143.8605590
            2      7.3360080              4.7147610
            2      6.4062530              9.0130650
            d-h potential
              4
            2      8.3692200             36.3683650
            2      8.1169750             54.5517610
            2      5.3536560              9.6344870
            2      5.0972120             14.3879020
            f-h potential
              4
            2      6.3485710             21.7972900
            2      6.2959490             28.9468050
            2      2.8821180              1.4473650
            2      2.9080480              2.1779640
            g-h potential
              4
            2     11.0152050            -25.2280950
            2     10.9098530            -30.5661210
            2      3.4827610             -0.5748000
            2      3.6004180             -0.7795380
            
 Initial command:
 /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe "/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/B3LYPDBJ_augccpVDZ/24_bromohexahelicene_STD/Gau-199170.inp" -scrdir="/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/B3LYPDBJ_augccpVDZ/24_bromohexahelicene_STD/"
 Entering Link 1 = /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe PID=    199171.
  
 Copyright (c) 1988,1990,1992,1993,1995,1998,2003,2009,2016,
            Gaussian, Inc.  All Rights Reserved.
  
 This is part of the Gaussian(R) 16 program.  It is based on
 the Gaussian(R) 09 system (copyright 2009, Gaussian, Inc.),
 the Gaussian(R) 03 system (copyright 2003, Gaussian, Inc.),
 the Gaussian(R) 98 system (copyright 1998, Gaussian, Inc.),
 the Gaussian(R) 94 system (copyright 1995, Gaussian, Inc.),
 the Gaussian 92(TM) system (copyright 1992, Gaussian, Inc.),
 the Gaussian 90(TM) system (copyright 1990, Gaussian, Inc.),
 the Gaussian 88(TM) system (copyright 1988, Gaussian, Inc.),
 the Gaussian 86(TM) system (copyright 1986, Carnegie Mellon
 University), and the Gaussian 82(TM) system (copyright 1983,
 Carnegie Mellon University). Gaussian is a federally registered
 trademark of Gaussian, Inc.
  
 This software contains proprietary and confidential information,
 including trade secrets, belonging to Gaussian, Inc.
  
 This software is provided under written license and may be
 used, copied, transmitted, or stored only in accord with that
 written license.
  
 The following legend is applicable only to US Government
 contracts under FAR:
  
                    RESTRICTED RIGHTS LEGEND
  
 Use, reproduction and disclosure by the US Government is
 subject to restrictions as set forth in subparagraphs (a)
 and (c) of the Commercial Computer Software - Restricted
 Rights clause in FAR 52.227-19.
  
 Gaussian, Inc.
 340 Quinnipiac St., Bldg. 40, Wallingford CT 06492
  
  
 ---------------------------------------------------------------
 Warning -- This program may not be used in any manner that
 competes with the business of Gaussian, Inc. or will provide
 assistance to any competitor of Gaussian, Inc.  The licensee
 of this program is prohibited from giving any competitor of
 Gaussian, Inc. access to this program.  By using this program,
 the user acknowledges that Gaussian, Inc. is engaged in the
 business of creating and licensing software in the field of
 computational chemistry and represents and warrants to the
 licensee that it is not a competitor of Gaussian, Inc. and that
 it will not use this program in any manner prohibited above.
 ---------------------------------------------------------------
  

 Cite this work as:
 Gaussian 16, Revision A.03,
 M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, 
 M. A. Robb, J. R. Cheeseman, G. Scalmani, V. Barone, 
 G. A. Petersson, H. Nakatsuji, X. Li, M. Caricato, A. V. Marenich, 
 J. Bloino, B. G. Janesko, R. Gomperts, B. Mennucci, H. P. Hratchian, 
 J. V. Ortiz, A. F. Izmaylov, J. L. Sonnenberg, D. Williams-Young, 
 F. Ding, F. Lipparini, F. Egidi, J. Goings, B. Peng, A. Petrone, 
 T. Henderson, D. Ranasinghe, V. G. Zakrzewski, J. Gao, N. Rega, 
 G. Zheng, W. Liang, M. Hada, M. Ehara, K. Toyota, R. Fukuda, 
 J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, 
 T. Vreven, K. Throssell, J. A. Montgomery, Jr., J. E. Peralta, 
 F. Ogliaro, M. J. Bearpark, J. J. Heyd, E. N. Brothers, K. N. Kudin, 
 V. N. Staroverov, T. A. Keith, R. Kobayashi, J. Normand, 
 K. Raghavachari, A. P. Rendell, J. C. Burant, S. S. Iyengar, 
 J. Tomasi, M. Cossi, J. M. Millam, M. Klene, C. Adamo, R. Cammi, 
 J. W. Ochterski, R. L. Martin, K. Morokuma, O. Farkas, 
 J. B. Foresman, and D. J. Fox, Gaussian, Inc., Wallingford CT, 2016.
 
 ******************************************
 Gaussian 16:  ES64L-G16RevA.03 25-Dec-2016
                16-Jul-2021 
 ******************************************
 %NoSave
 %nproc=8
 Will use up to    8 processors via shared memory.
 %mem=48GB
 %chk=24_bromohexahelicene_STD_B3LYPDBJ-augccpVDZr
 ----------------------------------------------------------------------
 #P B3LYP/Gen EmpiricalDispersion=GD3BJ Integral=UltraFineGrid SCF=(NoS
 ymm,MaxCyc=120) Polar=ROA Guess=Read Geom=Check CPHF=RdFreq
 ----------------------------------------------------------------------
 1/29=2,38=1,83=21,172=1/1;
 2/12=2,40=1/2;
 3/5=7,11=2,14=-4,25=1,30=1,36=2,74=-5,75=-5,116=-2,124=41/1,2,3;
 4/5=1,9=2/1;
 5/5=2,7=120,38=6,98=1/2;
 8/6=4,10=90,11=11/1;
 10/13=10,49=112,72=3/2;
 6/7=2,8=2,9=2,10=2,28=1/1;
 7/8=1,25=21/16;
 99/5=1/99;
 Leave Link    1 at Fri Jul 16 12:27:45 2021, MaxMem=  6442450944 cpu:               0.9 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l101.exe)
 -----------------
 ROA calculations.
 -----------------
 Structure from the checkpoint file:  "24_bromohexahelicene_STD_B3LYPDBJ-augccpVDZr.chk"
 Charge =  0 Multiplicity = 1
 No Z-Matrix found in chk file; cartesian coordinates used.
  H                                                -0.652976000000      0.269100000000      2.131879000000
  C                                                 0.077118000000     -0.515898000000      2.016272000000
  C                                                 1.147355000000     -0.563978000000      2.876118000000
  H                                                 1.246861000000      0.187890000000      3.648057000000
  C                                                 2.106939000000     -1.581823000000      2.761904000000
  H                                                 2.960929000000     -1.600767000000      3.426187000000
  C                                                 1.931710000000     -2.571919000000      1.827980000000
  H                                                 2.635140000000     -3.392515000000      1.758710000000
  C                                                 0.821522000000     -2.563238000000      0.958527000000
  C                                                 0.572868000000     -3.662981000000      0.087518000000
  C                                                -0.095253000000     -1.476611000000      0.997501000000
  C                                                -1.192690000000     -1.441893000000      0.051784000000
  C                                                -1.506727000000     -2.642536000000     -0.624596000000
  C                                                -0.579615000000     -3.726610000000     -0.622566000000
  C                                                -2.035643000000     -0.291576000000     -0.177518000000
  C                                                -3.356973000000     -0.534957000000     -0.639268000000
  C                                                -3.692510000000     -1.798848000000     -1.190783000000
  C                                                -2.761886000000     -2.786096000000     -1.271742000000
  C                                                -1.648813000000      1.086948000000      0.014540000000
  C                                                -2.666637000000      2.048502000000      0.208501000000
  C                                                -4.021272000000      1.709542000000     -0.047099000000
  C                                                -4.337685000000      0.487361000000     -0.549941000000
  C                                                -0.287114000000      1.573400000000     -0.077792000000
  C                                                -2.332234000000      3.372974000000      0.618459000000
  C                                                -1.040913000000      3.763875000000      0.750029000000
  C                                                 0.014713000000      2.893138000000      0.356628000000
  C                                                 1.350986000000      3.343894000000      0.332494000000
  C                                                 2.364583000000      2.558938000000     -0.156390000000
  C                                                 2.037889000000      1.298263000000     -0.674090000000
  C                                                 0.755945000000      0.815557000000     -0.650086000000
  H                                                 1.288903000000     -4.474696000000      0.057484000000
  H                                                -0.817831000000     -4.602750000000     -1.212841000000
  H                                                -4.691768000000     -1.942773000000     -1.582177000000
  H                                                -2.987639000000     -3.723712000000     -1.763936000000
  H                                                -4.781726000000      2.467364000000      0.093003000000
  H                                                -5.350606000000      0.258294000000     -0.856644000000
  H                                                -3.141496000000      4.061419000000      0.827867000000
  H                                                -0.794276000000      4.761695000000      1.090549000000
  H                                                 1.568632000000      4.342013000000      0.692153000000
  H                                                 3.386563000000      2.908506000000     -0.172645000000
  Br                                                3.423691000000      0.224870000000     -1.431958000000
  H                                                 0.548148000000     -0.150081000000     -1.077456000000
 Recover connectivity data from disk.
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 ITRead=  0  0
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 MicOpt= -1 -1
 NAtoms=     42 NQM=       42 NQMF=       0 NMMI=      0 NMMIF=      0
                NMic=       0 NMicF=      0.
                    Isotopes and Nuclear Properties:
 (Nuclear quadrupole moments (NQMom) in fm**2, nuclear magnetic moments (NMagM)
  in nuclear magnetons)

  Atom         1           2           3           4           5           6           7           8           9          10
 IAtWgt=           1          12          12           1          12           1          12           1          12          12
 AtmWgt=   1.0078250  12.0000000  12.0000000   1.0078250  12.0000000   1.0078250  12.0000000   1.0078250  12.0000000  12.0000000
 NucSpn=           1           0           0           1           0           1           0           1           0           0
 AtZEff=   1.0000000   3.6000000   3.6000000   1.0000000   3.6000000   1.0000000   3.6000000   1.0000000   3.6000000   3.6000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    2.7928460   0.0000000   0.0000000   2.7928460   0.0000000   2.7928460   0.0000000   2.7928460   0.0000000   0.0000000
 AtZNuc=   1.0000000   6.0000000   6.0000000   1.0000000   6.0000000   1.0000000   6.0000000   1.0000000   6.0000000   6.0000000

  Atom        11          12          13          14          15          16          17          18          19          20
 IAtWgt=          12          12          12          12          12          12          12          12          12          12
 AtmWgt=  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000
 NucSpn=           0           0           0           0           0           0           0           0           0           0
 AtZEff=   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 AtZNuc=   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000

  Atom        21          22          23          24          25          26          27          28          29          30
 IAtWgt=          12          12          12          12          12          12          12          12          12          12
 AtmWgt=  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000
 NucSpn=           0           0           0           0           0           0           0           0           0           0
 AtZEff=   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 AtZNuc=   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000

  Atom        31          32          33          34          35          36          37          38          39          40
 IAtWgt=           1           1           1           1           1           1           1           1           1           1
 AtmWgt=   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250
 NucSpn=           1           1           1           1           1           1           1           1           1           1
 AtZEff=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460
 AtZNuc=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000

  Atom        41          42
 IAtWgt=          79           1
 AtmWgt=  78.9183361   1.0078250
 NucSpn=           3           1
 AtZEff=  24.5000000   1.0000000
 NQMom=   31.3000000   0.0000000
 NMagM=    2.1063990   2.7928460
 AtZNuc=  35.0000000   1.0000000
 Using perturbation frequencies:    0.085645
 Leave Link  101 at Fri Jul 16 12:27:45 2021, MaxMem=  6442450944 cpu:               0.9 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l202.exe)
                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          1           0       -0.652976    0.269100    2.131879
      2          6           0        0.077118   -0.515898    2.016272
      3          6           0        1.147355   -0.563978    2.876118
      4          1           0        1.246861    0.187890    3.648057
      5          6           0        2.106939   -1.581823    2.761904
      6          1           0        2.960929   -1.600767    3.426187
      7          6           0        1.931710   -2.571919    1.827980
      8          1           0        2.635140   -3.392515    1.758710
      9          6           0        0.821522   -2.563238    0.958527
     10          6           0        0.572868   -3.662981    0.087518
     11          6           0       -0.095253   -1.476611    0.997501
     12          6           0       -1.192690   -1.441893    0.051784
     13          6           0       -1.506727   -2.642536   -0.624596
     14          6           0       -0.579615   -3.726610   -0.622566
     15          6           0       -2.035643   -0.291576   -0.177518
     16          6           0       -3.356973   -0.534957   -0.639268
     17          6           0       -3.692510   -1.798848   -1.190783
     18          6           0       -2.761886   -2.786096   -1.271742
     19          6           0       -1.648813    1.086948    0.014540
     20          6           0       -2.666637    2.048502    0.208501
     21          6           0       -4.021272    1.709542   -0.047099
     22          6           0       -4.337685    0.487361   -0.549941
     23          6           0       -0.287114    1.573400   -0.077792
     24          6           0       -2.332234    3.372974    0.618459
     25          6           0       -1.040913    3.763875    0.750029
     26          6           0        0.014713    2.893138    0.356628
     27          6           0        1.350986    3.343894    0.332494
     28          6           0        2.364583    2.558938   -0.156390
     29          6           0        2.037889    1.298263   -0.674090
     30          6           0        0.755945    0.815557   -0.650086
     31          1           0        1.288903   -4.474696    0.057484
     32          1           0       -0.817831   -4.602750   -1.212841
     33          1           0       -4.691768   -1.942773   -1.582177
     34          1           0       -2.987639   -3.723712   -1.763936
     35          1           0       -4.781726    2.467364    0.093003
     36          1           0       -5.350606    0.258294   -0.856644
     37          1           0       -3.141496    4.061419    0.827867
     38          1           0       -0.794276    4.761695    1.090549
     39          1           0        1.568632    4.342013    0.692153
     40          1           0        3.386563    2.908506   -0.172645
     41         35           0        3.423691    0.224870   -1.431958
     42          1           0        0.548148   -0.150081   -1.077456
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  H    0.000000
     2  C    1.078250   0.000000
     3  C    2.118750   1.373701   0.000000
     4  H    2.432030   2.127519   1.082172   0.000000
     5  C    3.382304   2.410879   1.403515   2.157982   0.000000
     6  H    4.269888   3.388387   2.160222   2.487277   1.082095
     7  C    3.852836   2.775282   2.397005   3.376129   1.372301
     8  H    4.935422   3.858075   3.385665   4.279749   2.136352
     9  C    3.401917   2.421686   2.789330   3.870813   2.422321
    10  C    4.598192   3.724244   4.208342   5.287808   3.719803
    11  C    2.155313   1.410878   2.430262   3.405478   2.823798
    12  C    2.746923   2.515769   3.771393   4.641205   4.272222
    13  C    4.099350   3.742371   4.859995   5.818000   5.064788
    14  C    4.853663   4.207545   5.022495   6.074335   4.824139
    15  C    2.749444   3.053980   4.419318   5.063570   5.240794
    16  C    3.954411   4.341110   5.713821   6.332373   6.520601
    17  C    4.955326   5.112852   6.441186   7.194365   7.021712
    18  C    5.036503   4.901508   6.117574   7.008500   6.436306
    19  C    2.478647   3.091098   4.328134   4.732407   5.364329
    20  C    3.304616   4.168018   5.337393   5.532440   6.518140
    21  C    4.262421   5.099694   6.358364   6.612324   7.501903
    22  C    4.562552   5.204081   6.552012   6.992855   7.535451
    23  C    2.591853   2.980425   3.918121   4.260830   4.873479
    24  C    3.839841   4.783533   5.718755   5.668611   6.989322
    25  C    3.778023   4.601067   5.295194   5.140053   6.521741
    26  C    3.237731   3.792076   4.425196   4.435094   5.494364
    27  C    4.087543   4.399528   4.667221   4.578664   5.544023
    28  C    4.425516   4.405403   4.519995   4.620064   5.072349
    29  C    4.021616   3.791286   4.106698   4.532064   4.483940
    30  C    3.165913   3.056639   3.806630   4.371384   4.383411
    31  H    5.529702   4.580104   4.822701   5.885040   4.043734
    32  H    5.911789   5.284928   6.073979   7.130324   5.786093
    33  H    5.915948   6.142237   7.474813   8.195266   8.076122
    34  H    6.047361   5.828617   6.972245   7.907040   7.143223
    35  H    5.102544   6.017240   7.217255   7.360589   8.424527
    36  H    5.567685   6.189766   7.538776   7.988984   8.490871
    37  H    4.719625   5.720456   6.632034   6.497336   7.945612
    38  H    4.613864   5.428561   5.943146   5.623769   7.172914
    39  H    4.857672   5.251400   5.386643   5.108585   6.298053
    40  H    5.347445   5.241214   5.134896   5.155370   5.514714
    41  Br   5.414989   4.861952   4.935940   5.526890   4.752521
    42  H    3.452281   3.150689   4.020088   4.788830   4.384108
                    6          7          8          9         10
     6  H    0.000000
     7  C    2.134641   0.000000
     8  H    2.469206   1.083047   0.000000
     9  C    3.404814   1.410156   2.148768   0.000000
    10  C    4.593721   2.462940   2.668145   1.424753   0.000000
    11  C    3.905660   2.449076   3.421282   1.422235   2.460624
    12  C    5.353913   3.767454   4.622857   2.477226   2.837552
    13  C    6.119974   4.224093   4.837115   2.816613   2.423454
    14  C    5.783343   3.693946   4.014567   2.411737   1.355170
    15  C    6.298127   4.996186   5.931359   3.822884   4.270942
    16  C    7.588133   6.181156   7.058424   4.911893   5.075077
    17  C    8.100858   6.429807   7.160896   5.057698   4.827266
    18  C    7.498410   5.628853   6.219266   4.226651   3.706359
    19  C    6.333472   5.431024   6.438942   4.507496   5.244332
    20  C    7.439097   6.716829   7.753493   5.830775   6.567349
    21  C    8.471894   7.568674   8.579030   6.536099   7.070237
    22  C    8.569693   7.370144   8.306840   6.180538   6.461054
    23  C    5.736113   5.073344   6.047530   4.406223   5.309104
    24  C    7.787105   7.415249   8.470349   6.730560   7.630608
    25  C    7.208047   7.081013   8.108312   6.598825   7.628984
    26  C    6.188503   5.975500   6.952834   5.548447   6.585336
    27  C    6.050828   6.129483   7.004452   5.963762   7.054203
    28  C    5.522104   5.518224   6.257843   5.464500   6.479353
    29  C    5.105747   4.609765   5.317765   4.365338   5.228793
    30  C    5.226526   4.358696   5.200148   3.742752   4.542563
    31  H    4.733212   2.677390   2.424384   2.164254   1.082815
    32  H    6.694140   4.575024   4.713575   3.400283   2.123239
    33  H    9.152292   7.476326   8.182106   6.102173   5.784755
    34  H    8.174945   6.199071   6.643370   4.823714   4.013574
    35  H    9.359942   8.571741   9.598055   7.579741   8.139585
    36  H    9.533119   8.261322   9.161911   7.025030   7.166267
    37  H    8.720734   8.410637   9.476134   7.720665   8.602963
    38  H    7.748399   7.858543   8.871216   7.502191   8.593621
    39  H    6.688054   7.016009   7.880222   6.950656   8.089318
    40  H    5.785006   6.012833   6.633071   6.148087   7.153251
    41  Br   5.210439   4.547003   4.887499   4.501027   5.054838
    42  H    5.311196   4.027543   4.786727   3.169115   3.701114
                   11         12         13         14         15
    11  C    0.000000
    12  C    1.449122   0.000000
    13  C    2.445984   1.413383   0.000000
    14  C    2.814555   2.459785   1.426449   0.000000
    15  C    2.559315   1.444430   2.450846   3.757332   0.000000
    16  C    3.768891   2.446264   2.804553   4.230915   1.420690
    17  C    4.222876   2.814336   2.410399   3.705301   2.458411
    18  C    3.738335   2.453768   1.419448   2.463393   2.819111
    19  C    3.154615   2.569917   3.786520   4.971864   1.444594
    20  C    4.434068   3.792089   4.903599   6.196632   2.454206
    21  C    5.162982   4.235823   5.059350   6.459715   2.822092
    22  C    4.924428   3.738327   4.220918   5.646762   2.458625
    23  C    3.239696   3.151008   4.422733   5.335957   2.558405
    24  C    5.354085   4.980223   6.197823   7.417271   3.761711
    25  C    5.330873   5.254579   6.568765   7.629166   4.277442
    26  C    4.417863   4.510349   5.824197   6.718118   3.825137
    27  C    5.076525   5.427047   6.702230   7.391305   4.994598
    28  C    4.864968   5.357628   6.500891   6.956561   5.242887
    29  C    3.878716   4.297905   5.300627   5.665980   4.400890
    30  C    2.948409   3.063638   4.132643   4.734528   3.040070
    31  H    3.433371   3.918703   3.411391   2.124491   5.348488
    32  H    3.896213   3.425027   2.159409   1.082956   4.597954
    33  H    5.291502   3.894131   3.398693   4.583964   3.428486
    34  H    4.587035   3.424234   2.158735   2.664829   3.899048
    35  H    6.191614   5.307087   6.111599   7.518982   3.902038
    36  H    5.836650   4.583028   4.821210   6.220660   3.428199
    37  H    6.322828   5.889532   7.051605   8.325886   4.602421
    38  H    6.278037   6.302561   7.633606   8.662111   5.355794
    39  H    6.059549   6.441160   7.744391   8.452581   5.934414
    40  H    5.720274   6.320277   7.413677   7.743240   6.296099
    41  Br   4.602203   5.127432   5.760458   5.682937   5.625359
    42  H    2.545406   2.444275   3.261890   3.777610   2.739687
                   16         17         18         19         20
    16  C    0.000000
    17  C    1.419216   0.000000
    18  C    2.412836   1.359145   0.000000
    19  C    2.444555   3.735950   4.230121   0.000000
    20  C    2.805269   4.220487   5.057028   1.413567   0.000000
    21  C    2.414484   3.704713   4.826651   2.453566   1.419599
    22  C    1.419475   2.460423   3.704006   2.812148   2.409315
    23  C    3.766226   4.920115   5.153176   1.448925   2.443321
    24  C    4.231299   5.645481   6.456904   2.461239   1.426225
    25  C    5.076833   6.460774   7.067632   2.841905   2.424610
    26  C    4.910388   6.176788   6.528000   2.479247   2.815136
    27  C    6.176948   7.362406   7.554209   3.767452   4.223116
    28  C    6.522389   7.533170   7.489598   4.278238   5.070194
    29  C    5.697933   6.534259   6.330641   3.756413   4.845038
    30  C    4.328984   5.188084   5.072819   2.509630   3.737833
    31  H    6.131164   5.790752   4.585532   6.289984   7.630283
    32  H    4.829407   4.015736   2.661400   5.879597   7.048223
    33  H    2.157012   1.082784   2.128851   4.581298   4.820577
    34  H    3.401389   2.128485   1.082748   5.300743   6.108355
    35  H    3.402951   4.586400   5.791470   3.424449   2.159256
    36  H    2.156634   2.663224   4.017722   3.892159   3.397509
    37  H    4.829657   6.222644   7.172233   3.425942   2.158921
    38  H    6.133042   7.526285   8.149911   3.923238   3.412501
    39  H    7.058265   8.302725   8.568559   4.626722   4.840621
    40  H    7.586201   8.562071   8.452215   5.357996   6.125856
    41  Br   6.868995   7.402291   6.881348   5.344701   6.565732
    42  H    3.948431   4.551314   4.235876   2.747605   4.101499
                   21         22         23         24         25
    21  C    0.000000
    22  C    1.358931   0.000000
    23  C    3.736765   4.220134   0.000000
    24  C    2.462280   3.703209   2.811716   0.000000
    25  C    3.706513   4.826404   2.460017   1.355590   0.000000
    26  C    4.225289   5.054997   1.421805   2.409763   1.423831
    27  C    5.628175   6.426465   2.446703   3.694419   2.464123
    28  C    6.443024   7.026145   2.830011   4.829403   3.724362
    29  C    6.105383   6.428135   2.415970   5.007303   4.193612
    30  C    4.897408   5.105175   1.410609   4.205525   3.725802
    31  H    8.151914   7.526584   6.251527   8.661019   8.589628
    32  H    7.173982   6.223989   6.301970   8.322214   8.596688
    33  H    4.018138   2.663914   5.833320   6.218309   7.164758
    34  H    5.791043   4.585798   6.180236   7.514540   8.134723
    35  H    1.082688   2.128605   4.585835   2.663878   4.013266
    36  H    2.128054   1.082842   5.289146   4.581237   5.783074
    37  H    2.659116   4.012868   3.893322   1.082919   2.122979
    38  H    4.585126   5.789377   3.433287   2.125260   1.082787
    39  H    6.222815   7.161405   3.420793   4.020102   2.673447
    40  H    7.505285   8.103598   3.909911   5.791909   4.602774
    41  Br   7.716836   7.815741   4.174012   6.873532   6.100681
    42  H    5.039785   4.955398   2.160411   4.856402   4.602594
                   26         27         28         29         30
    26  C    0.000000
    27  C    1.410457   0.000000
    28  C    2.428326   1.372058   0.000000
    29  C    2.774752   2.381103   1.401443   0.000000
    30  C    2.424715   2.777053   2.422979   1.370023   0.000000
    31  H    7.483183   7.823671   7.118626   5.867132   5.363905
    32  H    7.703551   8.380989   7.907820   6.577792   5.670231
    33  H    7.021108   8.254071   8.490604   7.524441   6.176954
    34  H    7.569254   8.553931   8.408459   7.187762   5.988326
    35  H    4.822511   6.199663   7.151246   6.961492   5.826358
    36  H    6.099269   7.473039   8.081303   7.463559   6.135403
    37  H    3.398323   4.576312   5.791642   6.059450   5.282993
    38  H    2.164396   2.680850   4.047887   4.809415   4.583121
    39  H    2.150925   1.083036   2.129065   3.369160   3.859787
    40  H    3.413171   2.142032   1.080234   2.159456   3.395370
    41  Br   4.683997   4.139771   2.862980   1.909708   2.842025
    42  H    3.406220   3.852320   3.389186   2.116538   1.076235
                   31         32         33         34         35
    31  H    0.000000
    32  H    2.463423   0.000000
    33  H    6.698324   4.713733   0.000000
    34  H    4.708541   2.405095   2.471606   0.000000
    35  H    9.222039   8.210006   4.718435   6.707935   0.000000
    36  H    8.204871   6.656025   2.409390   4.718386   2.470920
    37  H    9.648170   9.199551   6.652968   8.206667   2.402372
    38  H    9.524588   9.643598   8.202670   9.217432   4.707315
    39  H    8.843948   9.451613   9.157714   9.583731   6.648333
    40  H    7.678855   8.670519   9.527913   9.335361   8.184505
    41  Br   5.372307   6.429964   8.401304   7.537019   8.641942
    42  H    4.532009   4.659452   5.561044   5.073843   6.052152
                   36         37         38         39         40
    36  H    0.000000
    37  H    4.709724   0.000000
    38  H    6.695694   2.463500   0.000000
    39  H    8.182383   4.720430   2.432732   0.000000
    40  H    9.155851   6.704162   4.744405   2.471374   0.000000
    41  Br   8.793201   7.932692   6.688577   4.990387   2.964650
    42  H    5.916995   5.914428   5.534247   4.934756   4.269688
                   41         42
    41  Br   0.000000
    42  H    2.921474   0.000000
 Stoichiometry    C26H15Br
 Framework group  C1[X(C26H15Br)]
 Deg. of freedom   120
 Full point group                 C1      NOp   1
 RotChk:  IX=0 Diff= 2.28D-15
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          1           0       -0.652976    0.269100    2.131879
      2          6           0        0.077118   -0.515898    2.016272
      3          6           0        1.147355   -0.563978    2.876118
      4          1           0        1.246861    0.187890    3.648057
      5          6           0        2.106939   -1.581823    2.761904
      6          1           0        2.960929   -1.600767    3.426187
      7          6           0        1.931710   -2.571919    1.827980
      8          1           0        2.635140   -3.392515    1.758710
      9          6           0        0.821522   -2.563238    0.958527
     10          6           0        0.572868   -3.662981    0.087518
     11          6           0       -0.095253   -1.476611    0.997501
     12          6           0       -1.192690   -1.441893    0.051784
     13          6           0       -1.506727   -2.642536   -0.624596
     14          6           0       -0.579615   -3.726610   -0.622566
     15          6           0       -2.035643   -0.291576   -0.177518
     16          6           0       -3.356973   -0.534958   -0.639268
     17          6           0       -3.692510   -1.798849   -1.190783
     18          6           0       -2.761886   -2.786096   -1.271742
     19          6           0       -1.648813    1.086948    0.014540
     20          6           0       -2.666637    2.048502    0.208501
     21          6           0       -4.021272    1.709541   -0.047099
     22          6           0       -4.337685    0.487360   -0.549941
     23          6           0       -0.287114    1.573400   -0.077792
     24          6           0       -2.332235    3.372974    0.618459
     25          6           0       -1.040914    3.763875    0.750029
     26          6           0        0.014712    2.893138    0.356628
     27          6           0        1.350985    3.343894    0.332494
     28          6           0        2.364583    2.558938   -0.156390
     29          6           0        2.037889    1.298263   -0.674090
     30          6           0        0.755945    0.815557   -0.650086
     31          1           0        1.288904   -4.474696    0.057484
     32          1           0       -0.817830   -4.602750   -1.212841
     33          1           0       -4.691768   -1.942774   -1.582177
     34          1           0       -2.987639   -3.723712   -1.763936
     35          1           0       -4.781726    2.467363    0.093003
     36          1           0       -5.350606    0.258293   -0.856644
     37          1           0       -3.141497    4.061418    0.827867
     38          1           0       -0.794277    4.761695    1.090549
     39          1           0        1.568631    4.342013    0.692153
     40          1           0        3.386562    2.908507   -0.172645
     41         35           0        3.423691    0.224871   -1.431958
     42          1           0        0.548148   -0.150081   -1.077456
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           0.2187617           0.1676240           0.1216333
 Leave Link  202 at Fri Jul 16 12:27:45 2021, MaxMem=  6442450944 cpu:               0.1 elap:               0.0
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l301.exe)
 General basis read from cards:  (5D, 7F)
 Centers:       1      4      6      8     31     32     33     34     35     36
 Centers:      37     38     39     40     42
 S 4 1.00
     Exponent=  1.3010000000D+01 Coefficients=  1.9685000000D-02
     Exponent=  1.9620000000D+00 Coefficients=  1.3797700000D-01
     Exponent=  4.4460000000D-01 Coefficients=  4.7814800000D-01
     Exponent=  1.2200000000D-01 Coefficients=  5.0124000000D-01
 S 1 1.00
     Exponent=  1.2200000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  2.9740000000D-02 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  7.2700000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  1.4100000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       2      3      5      7      9     10     11     12     13     14
 Centers:      15     16     17     18     19     20     21     22     23     24
 Centers:      25     26     27     28     29     30
 S 9 1.00
     Exponent=  6.6650000000D+03 Coefficients=  6.9200000000D-04
     Exponent=  1.0000000000D+03 Coefficients=  5.3290000000D-03
     Exponent=  2.2800000000D+02 Coefficients=  2.7077000000D-02
     Exponent=  6.4710000000D+01 Coefficients=  1.0171800000D-01
     Exponent=  2.1060000000D+01 Coefficients=  2.7474000000D-01
     Exponent=  7.4950000000D+00 Coefficients=  4.4856400000D-01
     Exponent=  2.7970000000D+00 Coefficients=  2.8507400000D-01
     Exponent=  5.2150000000D-01 Coefficients=  1.5204000000D-02
     Exponent=  1.5960000000D-01 Coefficients= -3.1910000000D-03
 S 9 1.00
     Exponent=  6.6650000000D+03 Coefficients= -1.4600000000D-04
     Exponent=  1.0000000000D+03 Coefficients= -1.1540000000D-03
     Exponent=  2.2800000000D+02 Coefficients= -5.7250000000D-03
     Exponent=  6.4710000000D+01 Coefficients= -2.3312000000D-02
     Exponent=  2.1060000000D+01 Coefficients= -6.3955000000D-02
     Exponent=  7.4950000000D+00 Coefficients= -1.4998100000D-01
     Exponent=  2.7970000000D+00 Coefficients= -1.2726200000D-01
     Exponent=  5.2150000000D-01 Coefficients=  5.4452900000D-01
     Exponent=  1.5960000000D-01 Coefficients=  5.8049600000D-01
 S 1 1.00
     Exponent=  1.5960000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  4.6900000000D-02 Coefficients=  1.0000000000D+00
 P 4 1.00
     Exponent=  9.4390000000D+00 Coefficients=  3.8109000000D-02
     Exponent=  2.0020000000D+00 Coefficients=  2.0948000000D-01
     Exponent=  5.4560000000D-01 Coefficients=  5.0855700000D-01
     Exponent=  1.5170000000D-01 Coefficients=  4.6884200000D-01
 P 1 1.00
     Exponent=  1.5170000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  4.0410000000D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  5.5000000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.5100000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:      41
 S 14 1.00
     Exponent=  6.4010000000D+05 Coefficients=  1.9840000000D-04
     Exponent=  9.5938000000D+04 Coefficients=  1.5400000000D-03
     Exponent=  2.1833000000D+04 Coefficients=  8.0096000000D-03
     Exponent=  6.1819000000D+03 Coefficients=  3.2734100000D-02
     Exponent=  2.0157000000D+03 Coefficients=  1.0744800000D-01
     Exponent=  7.2710000000D+02 Coefficients=  2.6889460000D-01
     Exponent=  2.8328000000D+02 Coefficients=  4.2044110000D-01
     Exponent=  1.1591000000D+02 Coefficients=  2.8380410000D-01
     Exponent=  3.6124000000D+01 Coefficients=  3.1545500000D-02
     Exponent=  1.5532000000D+01 Coefficients= -7.4268000000D-03
     Exponent=  4.7857000000D+00 Coefficients=  2.7728000000D-03
     Exponent=  2.0817000000D+00 Coefficients= -1.3635000000D-03
     Exponent=  4.2028000000D-01 Coefficients=  3.8120000000D-04
     Exponent=  1.6069000000D-01 Coefficients= -1.6150000000D-04
 S 14 1.00
     Exponent=  6.4010000000D+05 Coefficients= -6.2500000000D-05
     Exponent=  9.5938000000D+04 Coefficients= -4.8160000000D-04
     Exponent=  2.1833000000D+04 Coefficients= -2.5466000000D-03
     Exponent=  6.1819000000D+03 Coefficients= -1.0411200000D-02
     Exponent=  2.0157000000D+03 Coefficients= -3.6517900000D-02
     Exponent=  7.2710000000D+02 Coefficients= -9.9629500000D-02
     Exponent=  2.8328000000D+02 Coefficients= -2.1413100000D-01
     Exponent=  1.1591000000D+02 Coefficients= -1.8609110000D-01
     Exponent=  3.6124000000D+01 Coefficients=  4.6282610000D-01
     Exponent=  1.5532000000D+01 Coefficients=  6.4411410000D-01
     Exponent=  4.7857000000D+00 Coefficients=  8.2550200000D-02
     Exponent=  2.0817000000D+00 Coefficients= -1.4969400000D-02
     Exponent=  4.2028000000D-01 Coefficients=  3.5288000000D-03
     Exponent=  1.6069000000D-01 Coefficients= -1.4909000000D-03
 S 14 1.00
     Exponent=  6.4010000000D+05 Coefficients=  2.4800000000D-05
     Exponent=  9.5938000000D+04 Coefficients=  1.9190000000D-04
     Exponent=  2.1833000000D+04 Coefficients=  1.0100000000D-03
     Exponent=  6.1819000000D+03 Coefficients=  4.1659000000D-03
     Exponent=  2.0157000000D+03 Coefficients=  1.4568300000D-02
     Exponent=  7.2710000000D+02 Coefficients=  4.0834500000D-02
     Exponent=  2.8328000000D+02 Coefficients=  8.9485900000D-02
     Exponent=  1.1591000000D+02 Coefficients=  8.7278600000D-02
     Exponent=  3.6124000000D+01 Coefficients= -2.9336440000D-01
     Exponent=  1.5532000000D+01 Coefficients= -5.6671090000D-01
     Exponent=  4.7857000000D+00 Coefficients=  5.1056580000D-01
     Exponent=  2.0817000000D+00 Coefficients=  7.4772140000D-01
     Exponent=  4.2028000000D-01 Coefficients=  4.2151200000D-02
     Exponent=  1.6069000000D-01 Coefficients= -1.0661200000D-02
 S 14 1.00
     Exponent=  6.4010000000D+05 Coefficients= -7.6000000000D-06
     Exponent=  9.5938000000D+04 Coefficients= -5.8800000000D-05
     Exponent=  2.1833000000D+04 Coefficients= -3.0920000000D-04
     Exponent=  6.1819000000D+03 Coefficients= -1.2766000000D-03
     Exponent=  2.0157000000D+03 Coefficients= -4.4634000000D-03
     Exponent=  7.2710000000D+02 Coefficients= -1.2557500000D-02
     Exponent=  2.8328000000D+02 Coefficients= -2.7614500000D-02
     Exponent=  1.1591000000D+02 Coefficients= -2.7394500000D-02
     Exponent=  3.6124000000D+01 Coefficients=  9.6409400000D-02
     Exponent=  1.5532000000D+01 Coefficients=  1.9768710000D-01
     Exponent=  4.7857000000D+00 Coefficients= -2.2666930000D-01
     Exponent=  2.0817000000D+00 Coefficients= -5.2411650000D-01
     Exponent=  4.2028000000D-01 Coefficients=  6.8898650000D-01
     Exponent=  1.6069000000D-01 Coefficients=  5.3443310000D-01
 S 1 1.00
     Exponent=  1.6069000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  5.6946000000D-02 Coefficients=  1.0000000000D+00
 P 11 1.00
     Exponent=  4.3408000000D+03 Coefficients=  1.4448000000D-03
     Exponent=  1.0289000000D+03 Coefficients=  1.2128800000D-02
     Exponent=  3.3202000000D+02 Coefficients=  6.0807700000D-02
     Exponent=  1.2516000000D+02 Coefficients=  2.0093580000D-01
     Exponent=  5.1511000000D+01 Coefficients=  4.0474190000D-01
     Exponent=  2.2281000000D+01 Coefficients=  3.9571510000D-01
     Exponent=  9.3417000000D+00 Coefficients=  1.1022130000D-01
     Exponent=  4.0132000000D+00 Coefficients= -9.0900000000D-04
     Exponent=  1.7002000000D+00 Coefficients=  2.4832000000D-03
     Exponent=  4.7194000000D-01 Coefficients= -5.7440000000D-04
     Exponent=  1.4421000000D-01 Coefficients=  1.6910000000D-04
 P 11 1.00
     Exponent=  4.3408000000D+03 Coefficients= -5.8190000000D-04
     Exponent=  1.0289000000D+03 Coefficients= -4.9065000000D-03
     Exponent=  3.3202000000D+02 Coefficients= -2.5251400000D-02
     Exponent=  1.2516000000D+02 Coefficients= -8.6944500000D-02
     Exponent=  5.1511000000D+01 Coefficients= -1.8934220000D-01
     Exponent=  2.2281000000D+01 Coefficients= -1.7108820000D-01
     Exponent=  9.3417000000D+00 Coefficients=  2.3687550000D-01
     Exponent=  4.0132000000D+00 Coefficients=  5.8984000000D-01
     Exponent=  1.7002000000D+00 Coefficients=  3.1719440000D-01
     Exponent=  4.7194000000D-01 Coefficients=  1.7983300000D-02
     Exponent=  1.4421000000D-01 Coefficients= -1.4683000000D-03
 P 11 1.00
     Exponent=  4.3408000000D+03 Coefficients=  1.5180000000D-04
     Exponent=  1.0289000000D+03 Coefficients=  1.2563000000D-03
     Exponent=  3.3202000000D+02 Coefficients=  6.6224000000D-03
     Exponent=  1.2516000000D+02 Coefficients=  2.2381600000D-02
     Exponent=  5.1511000000D+01 Coefficients=  5.0971700000D-02
     Exponent=  2.2281000000D+01 Coefficients=  4.1400900000D-02
     Exponent=  9.3417000000D+00 Coefficients= -7.0397000000D-02
     Exponent=  4.0132000000D+00 Coefficients= -2.2325400000D-01
     Exponent=  1.7002000000D+00 Coefficients= -5.6417900000D-02
     Exponent=  4.7194000000D-01 Coefficients=  5.8080790000D-01
     Exponent=  1.4421000000D-01 Coefficients=  5.5081320000D-01
 P 1 1.00
     Exponent=  1.4421000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  4.1049000000D-02 Coefficients=  1.0000000000D+00
 D 5 1.00
     Exponent=  1.0483000000D+02 Coefficients=  2.2658300000D-02
     Exponent=  3.0272000000D+01 Coefficients=  1.3458950000D-01
     Exponent=  1.0649000000D+01 Coefficients=  3.6471810000D-01
     Exponent=  3.8696000000D+00 Coefficients=  4.9041960000D-01
     Exponent=  1.3239000000D+00 Coefficients=  2.7138850000D-01
 D 1 1.00
     Exponent=  4.0980000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.7190000000D-01 Coefficients=  1.0000000000D+00
 ****
 Ernie: Thresh=  0.10000D-02 Tol=  0.10000D-05 Strict=F.
 Ernie:  108 primitive shells out of 948 were deleted.
 There are   824 symmetry adapted cartesian basis functions of A   symmetry.
 There are   769 symmetry adapted basis functions of A   symmetry.
   769 basis functions,  1559 primitive gaussians,   824 cartesian basis functions
   103 alpha electrons      103 beta electrons
       nuclear repulsion energy      2775.6360966885 Hartrees.
 IExCor=  402 DFT=T Ex+Corr=B3LYP ExCW=0 ScaHFX=  0.200000
 ScaDFX=  0.800000  0.720000  1.000000  0.810000 ScalE2=  1.000000  1.000000
 IRadAn=      5 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=141
 NAtoms=   42 NActive=   42 NUniq=   42 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 R6Disp:  Grimme-D3(BJ) Dispersion energy=       -0.1271777900 Hartrees.
 Nuclear repulsion after empirical dispersion term =     2775.5089188985 Hartrees.
 Leave Link  301 at Fri Jul 16 12:27:46 2021, MaxMem=  6442450944 cpu:              10.2 elap:               1.3
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
 One-electron integral symmetry used in STVInt
 NBasis=   769 RedAO= T EigKep=  1.01D-06  NBF=   769
 NBsUse=   757 1.00D-06 EigRej=  9.38D-07 NBFU=   757
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           5 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=   824   824   824   824   824 MxSgAt=    42 MxSgA2=    42.
 Leave Link  302 at Fri Jul 16 12:27:48 2021, MaxMem=  6442450944 cpu:              13.6 elap:               1.7
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l303.exe)
 DipDrv:  MaxL=2.
 Leave Link  303 at Fri Jul 16 12:27:49 2021, MaxMem=  6442450944 cpu:               1.9 elap:               0.3
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l401.exe)
 Initial guess from the checkpoint file:  "24_bromohexahelicene_STD_B3LYPDBJ-augccpVDZr.chk"
 SCF N**3 symmetry information disabled.
 B after Tr=    -0.000000    0.000000    0.000000
         Rot=    1.000000   -0.000000   -0.000000    0.000000 Ang=   0.00 deg.
 Guess basis will be translated and rotated to current coordinates.
 JPrj=2 DoOrth=T DoCkMO=T.
 Leave Link  401 at Fri Jul 16 12:27:51 2021, MaxMem=  6442450944 cpu:              17.4 elap:               2.3
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l502.exe)
 Integral symmetry usage will be decided dynamically.
 Closed shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 NGot=  6442450944 LenX=  6441078974 LenY=  6440399174
 Requested convergence on RMS density matrix=1.00D-08 within 120 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Fock matrices will be formed incrementally for  20 cycles.

 Cycle   1  Pass 1  IDiag  1:
 FoFJK:  IHMeth= 1 ICntrl=       0 DoSepK=F KAlg= 0 I1Cent=           0 FoldK=F
 IRaf= 980000000 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=         0 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 E= -3574.21697076005    
 DIIS: error= 3.05D-03 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -3574.21697076005     IErMin= 1 ErrMin= 3.05D-03
 ErrMax= 3.05D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.50D-02 BMatP= 1.50D-02
 IDIUse=3 WtCom= 9.69D-01 WtEn= 3.05D-02
 Coeff-Com:  0.100D+01
 Coeff-En:   0.100D+01
 Coeff:      0.100D+01
 Gap=     0.143 Goal=   None    Shift=    0.000
 GapD=    0.143 DampG=1.000 DampE=1.000 DampFc=1.0000 IDamp=-1.
 RMSDP=8.99D-02 MaxDP=1.01D+01              OVMax= 1.24D-02

 Cycle   2  Pass 1  IDiag  1:
 RMSU=  7.50D-02    CP:  1.55D+00
 E= -3574.22400554065     Delta-E=       -0.007034780601 Rises=F Damp=F
 DIIS: error= 1.45D-04 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -3574.22400554065     IErMin= 2 ErrMin= 1.45D-04
 ErrMax= 1.45D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 6.36D-05 BMatP= 1.50D-02
 IDIUse=3 WtCom= 9.99D-01 WtEn= 1.45D-03
 Coeff-Com:  0.530D-02 0.995D+00
 Coeff-En:   0.000D+00 0.100D+01
 Coeff:      0.529D-02 0.995D+00
 Gap=     0.143 Goal=   None    Shift=    0.000
 RMSDP=3.35D-03 MaxDP=3.84D-01 DE=-7.03D-03 OVMax= 2.61D-03

 Cycle   3  Pass 1  IDiag  1:
 RMSU=  9.25D-04    CP:  1.57D+00  1.04D+00
 E= -3574.22402873073     Delta-E=       -0.000023190079 Rises=F Damp=F
 DIIS: error= 1.40D-04 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 3 EnMin= -3574.22402873073     IErMin= 3 ErrMin= 1.40D-04
 ErrMax= 1.40D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.66D-05 BMatP= 6.36D-05
 IDIUse=3 WtCom= 9.99D-01 WtEn= 1.40D-03
 Coeff-Com: -0.321D-02 0.456D+00 0.547D+00
 Coeff-En:   0.000D+00 0.379D+00 0.621D+00
 Coeff:     -0.320D-02 0.456D+00 0.547D+00
 Gap=     0.143 Goal=   None    Shift=    0.000
 RMSDP=2.99D-04 MaxDP=1.88D-02 DE=-2.32D-05 OVMax= 2.23D-03

 Cycle   4  Pass 1  IDiag  1:
 RMSU=  2.07D-04    CP:  1.57D+00  1.04D+00  9.34D-01
 E= -3574.22406779134     Delta-E=       -0.000039060602 Rises=F Damp=F
 DIIS: error= 6.71D-05 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -3574.22406779134     IErMin= 4 ErrMin= 6.71D-05
 ErrMax= 6.71D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.01D-05 BMatP= 4.66D-05
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.251D-02 0.215D+00 0.353D+00 0.434D+00
 Coeff:     -0.251D-02 0.215D+00 0.353D+00 0.434D+00
 Gap=     0.143 Goal=   None    Shift=    0.000
 RMSDP=7.92D-05 MaxDP=1.10D-02 DE=-3.91D-05 OVMax= 1.40D-03

 Cycle   5  Pass 1  IDiag  1:
 RMSU=  5.55D-05    CP:  1.57D+00  1.04D+00  9.33D-01  9.25D-01
 E= -3574.22407718296     Delta-E=       -0.000009391627 Rises=F Damp=F
 DIIS: error= 3.48D-05 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -3574.22407718296     IErMin= 5 ErrMin= 3.48D-05
 ErrMax= 3.48D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.67D-06 BMatP= 1.01D-05
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.101D-02 0.539D-01 0.135D+00 0.305D+00 0.507D+00
 Coeff:     -0.101D-02 0.539D-01 0.135D+00 0.305D+00 0.507D+00
 Gap=     0.143 Goal=   None    Shift=    0.000
 RMSDP=2.71D-05 MaxDP=3.03D-03 DE=-9.39D-06 OVMax= 4.91D-04

 Cycle   6  Pass 1  IDiag  1:
 RMSU=  1.81D-05    CP:  1.57D+00  1.04D+00  9.40D-01  9.10D-01  8.39D-01
 E= -3574.22407903040     Delta-E=       -0.000001847434 Rises=F Damp=F
 DIIS: error= 6.93D-06 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -3574.22407903040     IErMin= 6 ErrMin= 6.93D-06
 ErrMax= 6.93D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.33D-07 BMatP= 1.67D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.358D-03 0.116D-01 0.468D-01 0.135D+00 0.304D+00 0.503D+00
 Coeff:     -0.358D-03 0.116D-01 0.468D-01 0.135D+00 0.304D+00 0.503D+00
 Gap=     0.143 Goal=   None    Shift=    0.000
 RMSDP=9.29D-06 MaxDP=8.93D-04 DE=-1.85D-06 OVMax= 1.27D-04

 Cycle   7  Pass 1  IDiag  1:
 RMSU=  6.71D-06    CP:  1.57D+00  1.04D+00  9.41D-01  9.20D-01  8.08D-01
                    CP:  8.03D-01
 E= -3574.22407916079     Delta-E=       -0.000000130397 Rises=F Damp=F
 DIIS: error= 2.43D-06 at cycle   7 NSaved=   7.
 NSaved= 7 IEnMin= 7 EnMin= -3574.22407916079     IErMin= 7 ErrMin= 2.43D-06
 ErrMax= 2.43D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.48D-08 BMatP= 1.33D-07
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.734D-04-0.677D-03 0.881D-02 0.349D-01 0.113D+00 0.295D+00
 Coeff-Com:  0.549D+00
 Coeff:     -0.734D-04-0.677D-03 0.881D-02 0.349D-01 0.113D+00 0.295D+00
 Coeff:      0.549D+00
 Gap=     0.143 Goal=   None    Shift=    0.000
 RMSDP=3.34D-06 MaxDP=3.08D-04 DE=-1.30D-07 OVMax= 4.35D-05

 Cycle   8  Pass 1  IDiag  1:
 RMSU=  2.07D-06    CP:  1.57D+00  1.04D+00  9.42D-01  9.20D-01  8.24D-01
                    CP:  7.93D-01  7.62D-01
 E= -3574.22407917607     Delta-E=       -0.000000015278 Rises=F Damp=F
 DIIS: error= 6.93D-07 at cycle   8 NSaved=   8.
 NSaved= 8 IEnMin= 8 EnMin= -3574.22407917607     IErMin= 8 ErrMin= 6.93D-07
 ErrMax= 6.93D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.60D-09 BMatP= 1.48D-08
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.119D-04-0.131D-02 0.102D-02 0.827D-02 0.410D-01 0.130D+00
 Coeff-Com:  0.322D+00 0.500D+00
 Coeff:     -0.119D-04-0.131D-02 0.102D-02 0.827D-02 0.410D-01 0.130D+00
 Coeff:      0.322D+00 0.500D+00
 Gap=     0.143 Goal=   None    Shift=    0.000
 RMSDP=9.57D-07 MaxDP=6.06D-05 DE=-1.53D-08 OVMax= 1.70D-05

 Cycle   9  Pass 1  IDiag  1:
 RMSU=  8.19D-07    CP:  1.57D+00  1.04D+00  9.42D-01  9.20D-01  8.25D-01
                    CP:  7.93D-01  7.70D-01  8.26D-01
 E= -3574.22407917690     Delta-E=       -0.000000000824 Rises=F Damp=F
 DIIS: error= 2.71D-07 at cycle   9 NSaved=   9.
 NSaved= 9 IEnMin= 9 EnMin= -3574.22407917690     IErMin= 9 ErrMin= 2.71D-07
 ErrMax= 2.71D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.96D-10 BMatP= 1.60D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.255D-05-0.649D-03-0.521D-03 0.523D-03 0.102D-01 0.388D-01
 Coeff-Com:  0.116D+00 0.299D+00 0.536D+00
 Coeff:      0.255D-05-0.649D-03-0.521D-03 0.523D-03 0.102D-01 0.388D-01
 Coeff:      0.116D+00 0.299D+00 0.536D+00
 Gap=     0.143 Goal=   None    Shift=    0.000
 RMSDP=4.28D-07 MaxDP=3.49D-05 DE=-8.24D-10 OVMax= 5.45D-06

 Cycle  10  Pass 1  IDiag  1:
 RMSU=  3.50D-07    CP:  1.57D+00  1.04D+00  9.42D-01  9.20D-01  8.25D-01
                    CP:  7.94D-01  7.74D-01  8.60D-01  8.66D-01
 E= -3574.22407917747     Delta-E=       -0.000000000571 Rises=F Damp=F
 DIIS: error= 8.84D-08 at cycle  10 NSaved=  10.
 NSaved=10 IEnMin=10 EnMin= -3574.22407917747     IErMin=10 ErrMin= 8.84D-08
 ErrMax= 8.84D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.80D-11 BMatP= 1.96D-10
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.203D-05-0.253D-03-0.346D-03-0.233D-03 0.281D-02 0.119D-01
 Coeff-Com:  0.392D-01 0.132D+00 0.314D+00 0.502D+00
 Coeff:      0.203D-05-0.253D-03-0.346D-03-0.233D-03 0.281D-02 0.119D-01
 Coeff:      0.392D-01 0.132D+00 0.314D+00 0.502D+00
 Gap=     0.143 Goal=   None    Shift=    0.000
 RMSDP=2.62D-07 MaxDP=1.36D-05 DE=-5.71D-10 OVMax= 1.57D-06

 Cycle  11  Pass 1  IDiag  1:
 RMSU=  2.08D-07    CP:  1.57D+00  1.04D+00  9.42D-01  9.21D-01  8.25D-01
                    CP:  7.95D-01  7.75D-01  8.66D-01  9.20D-01  1.32D+00
 E= -3574.22407917695     Delta-E=        0.000000000517 Rises=F Damp=F
 DIIS: error= 3.05D-08 at cycle  11 NSaved=  11.
 NSaved=11 IEnMin=10 EnMin= -3574.22407917747     IErMin=11 ErrMin= 3.05D-08
 ErrMax= 3.05D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.96D-12 BMatP= 1.80D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.957D-06-0.965D-04-0.165D-03-0.191D-03 0.766D-03 0.364D-02
 Coeff-Com:  0.129D-01 0.531D-01 0.143D+00 0.307D+00 0.480D+00
 Coeff:      0.957D-06-0.965D-04-0.165D-03-0.191D-03 0.766D-03 0.364D-02
 Coeff:      0.129D-01 0.531D-01 0.143D+00 0.307D+00 0.480D+00
 Gap=     0.143 Goal=   None    Shift=    0.000
 RMSDP=3.06D-07 MaxDP=1.68D-05 DE= 5.17D-10 OVMax= 4.22D-07

 Cycle  12  Pass 1  IDiag  1:
 RMSU=  9.31D-08    CP:  1.57D+00  1.04D+00  9.42D-01  9.21D-01  8.25D-01
                    CP:  7.96D-01  7.74D-01  8.71D-01  9.76D-01  1.90D+00
                    CP:  1.88D+00
 E= -3574.22407917723     Delta-E=       -0.000000000283 Rises=F Damp=F
 DIIS: error= 2.11D-08 at cycle  12 NSaved=  12.
 NSaved=12 IEnMin=10 EnMin= -3574.22407917747     IErMin=12 ErrMin= 2.11D-08
 ErrMax= 2.11D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.29D-13 BMatP= 1.96D-12
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.288D-06-0.235D-04-0.519D-04-0.840D-04 0.814D-04 0.579D-03
 Coeff-Com:  0.236D-02 0.136D-01 0.420D-01 0.116D+00 0.275D+00 0.551D+00
 Coeff:      0.288D-06-0.235D-04-0.519D-04-0.840D-04 0.814D-04 0.579D-03
 Coeff:      0.236D-02 0.136D-01 0.420D-01 0.116D+00 0.275D+00 0.551D+00
 Gap=     0.143 Goal=   None    Shift=    0.000
 RMSDP=4.94D-07 MaxDP=2.70D-05 DE=-2.83D-10 OVMax= 1.72D-07

 Cycle  13  Pass 1  IDiag  1:
 RMSU=  8.81D-08    CP:  1.57D+00  1.04D+00  9.42D-01  9.21D-01  8.25D-01
                    CP:  7.97D-01  7.74D-01  8.81D-01  1.06D+00  2.80D+00
                    CP:  3.00D+00  2.41D+00
 E= -3574.22407917593     Delta-E=        0.000000001302 Rises=F Damp=F
 DIIS: error= 3.12D-08 at cycle  13 NSaved=  13.
 NSaved=13 IEnMin=10 EnMin= -3574.22407917747     IErMin=12 ErrMin= 2.11D-08
 ErrMax= 3.12D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.81D-13 BMatP= 2.29D-13
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.275D-06-0.224D-04-0.497D-04-0.810D-04 0.754D-04 0.547D-03
 Coeff-Com:  0.224D-02 0.130D-01 0.400D-01 0.110D+00 0.264D+00 0.531D+00
 Coeff-Com:  0.389D-01
 Coeff:      0.275D-06-0.224D-04-0.497D-04-0.810D-04 0.754D-04 0.547D-03
 Coeff:      0.224D-02 0.130D-01 0.400D-01 0.110D+00 0.264D+00 0.531D+00
 Coeff:      0.389D-01
 Gap=     0.143 Goal=   None    Shift=    0.000
 RMSDP=4.99D-08 MaxDP=2.69D-06 DE= 1.30D-09 OVMax= 6.81D-09

 Cycle  14  Pass 1  IDiag  1:
 RMSU=  1.09D-08    CP:  1.57D+00  1.04D+00  9.42D-01  9.21D-01  8.25D-01
                    CP:  7.97D-01  7.74D-01  8.81D-01  1.07D+00  2.89D+00
                    CP:  3.00D+00  2.55D+00  1.34D+00
 E= -3574.22407917587     Delta-E=        0.000000000065 Rises=F Damp=F
 DIIS: error= 3.31D-08 at cycle  14 NSaved=  14.
 NSaved=14 IEnMin=10 EnMin= -3574.22407917747     IErMin=12 ErrMin= 2.11D-08
 ErrMax= 3.31D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.96D-13 BMatP= 1.81D-13
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.777D-07 0.206D-05-0.138D-04-0.552D-04-0.179D-03-0.525D-03
 Coeff-Com: -0.134D-02-0.579D-03 0.555D-02 0.433D-01 0.181D+00 0.695D+00
 Coeff-Com:  0.935D+01-0.927D+01
 Coeff:      0.777D-07 0.206D-05-0.138D-04-0.552D-04-0.179D-03-0.525D-03
 Coeff:     -0.134D-02-0.579D-03 0.555D-02 0.433D-01 0.181D+00 0.695D+00
 Coeff:      0.935D+01-0.927D+01
 Gap=     0.143 Goal=   None    Shift=    0.000
 RMSDP=1.04D-06 MaxDP=5.00D-05 DE= 6.46D-11 OVMax= 7.78D-08

 Cycle  15  Pass 1  IDiag  1:
 RMSU=  1.17D-07    CP:  1.57D+00  1.04D+00  9.42D-01  9.21D-01  8.25D-01
                    CP:  7.93D-01  7.77D-01  8.70D-01  9.09D-01  1.01D+00
                    CP:  4.12D-01 -3.46D-01 -2.62D-01  3.00D+00
 E= -3574.22407917742     Delta-E=       -0.000000001554 Rises=F Damp=F
 DIIS: error= 1.27D-08 at cycle  15 NSaved=  15.
 NSaved=15 IEnMin=10 EnMin= -3574.22407917747     IErMin=15 ErrMin= 1.27D-08
 ErrMax= 1.27D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.48D-14 BMatP= 1.81D-13
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.918D-08 0.501D-05-0.134D-05-0.274D-04-0.136D-03-0.454D-03
 Coeff-Com: -0.129D-02-0.254D-02-0.248D-02 0.131D-01 0.847D-01 0.400D+00
 Coeff-Com:  0.760D+01-0.769D+01 0.598D+00
 Coeff:      0.918D-08 0.501D-05-0.134D-05-0.274D-04-0.136D-03-0.454D-03
 Coeff:     -0.129D-02-0.254D-02-0.248D-02 0.131D-01 0.847D-01 0.400D+00
 Coeff:      0.760D+01-0.769D+01 0.598D+00
 Gap=     0.143 Goal=   None    Shift=    0.000
 RMSDP=2.56D-07 MaxDP=1.63D-05 DE=-1.55D-09 OVMax= 3.62D-08

 Cycle  16  Pass 1  IDiag  1:
 RMSU=  2.93D-08    CP:  1.57D+00  1.04D+00  9.42D-01  9.20D-01  8.25D-01
                    CP:  7.93D-01  7.77D-01  8.64D-01  8.59D-01  5.46D-01
                    CP: -3.61D-01 -1.12D+00 -3.27D-01  3.00D+00  7.33D-01
 E= -3574.22407917679     Delta-E=        0.000000000628 Rises=F Damp=F
 DIIS: error= 8.35D-09 at cycle  16 NSaved=  16.
 NSaved=16 IEnMin=10 EnMin= -3574.22407917747     IErMin=16 ErrMin= 8.35D-09
 ErrMax= 8.35D-09  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.62D-14 BMatP= 4.48D-14
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Large coefficients: NSaved= 16 BigCof=    0.00 CofMax=   10.00 Det=-1.25D-16
 Inversion failed.  Reducing to 15 matrices.
 Coeff-Com:  0.318D-05 0.744D-06-0.130D-04-0.727D-04-0.249D-03-0.738D-03
 Coeff-Com: -0.170D-02-0.229D-02 0.466D-02 0.396D-01 0.208D+00 0.513D+01
 Coeff-Com: -0.529D+01 0.404D+00 0.509D+00
 Coeff:      0.318D-05 0.744D-06-0.130D-04-0.727D-04-0.249D-03-0.738D-03
 Coeff:     -0.170D-02-0.229D-02 0.466D-02 0.396D-01 0.208D+00 0.513D+01
 Coeff:     -0.529D+01 0.404D+00 0.509D+00
 Gap=     0.143 Goal=   None    Shift=    0.000
 RMSDP=1.75D-07 MaxDP=1.11D-05 DE= 6.28D-10 OVMax= 1.16D-08

 Cycle  17  Pass 1  IDiag  1:
 RMSU=  9.61D-09    CP:  1.57D+00  1.04D+00  9.42D-01  9.20D-01  8.25D-01
                    CP:  7.93D-01  7.77D-01  8.61D-01  8.26D-01  2.31D-01
                    CP: -8.84D-01 -1.65D+00 -3.75D-01  3.00D+00  5.12D-01
                    CP:  1.52D+00
 E= -3574.22407917643     Delta-E=        0.000000000364 Rises=F Damp=F
 DIIS: error= 5.44D-09 at cycle  17 NSaved=  16.
 NSaved=16 IEnMin= 9 EnMin= -3574.22407917747     IErMin=16 ErrMin= 5.44D-09
 ErrMax= 5.44D-09  0.00D+00 EMaxC= 1.00D-01 BMatC= 6.52D-15 BMatP= 1.62D-14
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Large coefficients: NSaved= 16 BigCof=    0.00 CofMax=   10.00 Det=-2.97D-17
 Inversion failed.  Reducing to 15 matrices.
 Coeff-Com: -0.123D-05-0.619D-05-0.191D-04-0.565D-04-0.164D-03-0.269D-03
 Coeff-Com:  0.231D-04 0.358D-02 0.183D-01 0.906D-01 0.270D+01-0.283D+01
 Coeff-Com:  0.961D-01 0.876D-01 0.830D+00
 Coeff:     -0.123D-05-0.619D-05-0.191D-04-0.565D-04-0.164D-03-0.269D-03
 Coeff:      0.231D-04 0.358D-02 0.183D-01 0.906D-01 0.270D+01-0.283D+01
 Coeff:      0.961D-01 0.876D-01 0.830D+00
 Gap=     0.143 Goal=   None    Shift=    0.000
 RMSDP=1.57D-07 MaxDP=9.60D-06 DE= 3.64D-10 OVMax= 6.43D-09

 Cycle  18  Pass 1  IDiag  1:
 RMSU=  5.67D-09    CP:  1.57D+00  1.04D+00  9.42D-01  9.20D-01  8.25D-01
                    CP:  7.93D-01  7.77D-01  8.58D-01  7.97D-01 -4.80D-02
                    CP: -1.35D+00 -2.12D+00 -4.23D-01  3.00D+00  3.12D-01
                    CP:  1.78D+00  2.75D+00
 E= -3574.22407917630     Delta-E=        0.000000000125 Rises=F Damp=F
 DIIS: error= 2.86D-09 at cycle  18 NSaved=  16.
 NSaved=16 IEnMin= 8 EnMin= -3574.22407917747     IErMin=16 ErrMin= 2.86D-09
 ErrMax= 2.86D-09  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.32D-15 BMatP= 6.52D-15
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Large coefficients: NSaved= 16 BigCof=    0.00 CofMax=   10.00 Det=-1.94D-17
 Inversion failed.  Reducing to 15 matrices.
 Coeff-Com: -0.725D-07-0.493D-06-0.339D-05-0.173D-04 0.294D-04 0.253D-03
 Coeff-Com:  0.152D-02 0.645D-02 0.308D-01 0.962D+00-0.101D+01-0.781D-01
 Coeff-Com: -0.251D+00 0.597D+00 0.743D+00
 Coeff:     -0.725D-07-0.493D-06-0.339D-05-0.173D-04 0.294D-04 0.253D-03
 Coeff:      0.152D-02 0.645D-02 0.308D-01 0.962D+00-0.101D+01-0.781D-01
 Coeff:     -0.251D+00 0.597D+00 0.743D+00
 Gap=     0.143 Goal=   None    Shift=    0.000
 RMSDP=1.19D-07 MaxDP=7.58D-06 DE= 1.25D-10 OVMax= 5.00D-09

 Cycle  19  Pass 1  IDiag  1:
 RMSU=  1.38D-08    CP:  1.57D+00  1.04D+00  9.42D-01  9.20D-01  8.26D-01
                    CP:  7.93D-01  7.77D-01  8.57D-01  7.73D-01 -2.53D-01
                    CP: -1.70D+00 -2.48D+00 -4.50D-01  3.00D+00  6.55D-02
                    CP:  2.07D+00  3.00D+00  3.00D+00
 E= -3574.22407917716     Delta-E=       -0.000000000857 Rises=F Damp=F
 DIIS: error= 9.85D-10 at cycle  19 NSaved=  16.
 NSaved=16 IEnMin= 7 EnMin= -3574.22407917747     IErMin=16 ErrMin= 9.85D-10
 ErrMax= 9.85D-10  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.35D-16 BMatP= 2.32D-15
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Large coefficients: NSaved= 16 BigCof=    0.00 CofMax=   10.00 Det=-1.91D-17
 Inversion failed.  Reducing to 15 matrices.
 Coeff-Com: -0.143D-05-0.787D-05-0.296D-04-0.193D-04 0.118D-03 0.112D-02
 Coeff-Com:  0.550D-02 0.238D-01 0.360D+00-0.353D+00-0.454D-01-0.187D+00
 Coeff-Com:  0.262D-01 0.361D+00 0.807D+00
 Coeff:     -0.143D-05-0.787D-05-0.296D-04-0.193D-04 0.118D-03 0.112D-02
 Coeff:      0.550D-02 0.238D-01 0.360D+00-0.353D+00-0.454D-01-0.187D+00
 Coeff:      0.262D-01 0.361D+00 0.807D+00
 Gap=     0.143 Goal=   None    Shift=    0.000
 RMSDP=4.76D-08 MaxDP=2.68D-06 DE=-8.57D-10 OVMax= 1.93D-09

 Cycle  20  Pass 1  IDiag  1:
 RMSU=  1.94D-08    CP:  1.57D+00  1.04D+00  9.42D-01  9.20D-01  8.26D-01
                    CP:  7.94D-01  7.77D-01  8.57D-01  7.64D-01 -3.04D-01
                    CP: -1.79D+00 -2.59D+00 -4.47D-01  3.00D+00 -1.52D-01
                    CP:  2.39D+00  3.00D+00  3.00D+00  2.01D+00
 E= -3574.22407917759     Delta-E=       -0.000000000434 Rises=F Damp=F
 DIIS: error= 2.26D-10 at cycle  20 NSaved=  16.
 NSaved=16 IEnMin=16 EnMin= -3574.22407917759     IErMin=16 ErrMin= 2.26D-10
 ErrMax= 2.26D-10  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.99D-17 BMatP= 3.35D-16
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Large coefficients: NSaved= 16 BigCof=    0.00 CofMax=   10.00 Det=-2.20D-17
 Inversion failed.  Reducing to 15 matrices.
 Coeff-Com: -0.287D-05-0.150D-04-0.249D-04 0.308D-04 0.574D-03 0.272D-02
 Coeff-Com:  0.109D-01 0.618D-01-0.452D-01 0.763D-02-0.701D-02-0.841D-01
 Coeff-Com: -0.118D+00 0.138D+00 0.103D+01
 Coeff:     -0.287D-05-0.150D-04-0.249D-04 0.308D-04 0.574D-03 0.272D-02
 Coeff:      0.109D-01 0.618D-01-0.452D-01 0.763D-02-0.701D-02-0.841D-01
 Coeff:     -0.118D+00 0.138D+00 0.103D+01
 Gap=     0.143 Goal=   None    Shift=    0.000
 RMSDP=2.73D-08 MaxDP=9.77D-07 DE=-4.34D-10 OVMax= 1.67D-09

 Cycle  21  Pass 1  IDiag  1:
 Restarting incremental Fock formation.
 E= -3574.22407917419     Delta-E=        0.000000003401 Rises=F Damp=F
 DIIS: error= 1.06D-07 at cycle  21 NSaved=  16.
 NSaved=16 IEnMin=15 EnMin= -3574.22407917759     IErMin=15 ErrMin= 2.26D-10
 ErrMax= 1.06D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.86D-12 BMatP= 3.99D-17
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Large coefficients: NSaved= 16 BigCof=    0.00 CofMax=   10.00 Det=-2.01D-17
 Inversion failed.  Reducing to 15 matrices.
 Coeff-Com: -0.689D-05-0.142D-04 0.218D-04 0.413D-03 0.202D-02 0.789D-02
 Coeff-Com: -0.103D-01 0.293D-01-0.220D-02-0.229D-01-0.688D-01-0.929D-01
 Coeff-Com:  0.142D+00 0.101D+01 0.629D-03
 Coeff:     -0.689D-05-0.142D-04 0.218D-04 0.413D-03 0.202D-02 0.789D-02
 Coeff:     -0.103D-01 0.293D-01-0.220D-02-0.229D-01-0.688D-01-0.929D-01
 Coeff:      0.142D+00 0.101D+01 0.629D-03
 Gap=     0.143 Goal=   None    Shift=    0.000
 RMSDP=3.50D-09 MaxDP=2.45D-07 DE= 3.40D-09 OVMax= 5.47D-10

 Cycle  22  Pass 1  IDiag  1:
 RMSU=  3.50D-09    CP:  1.00D+00
 E= -3574.22407917389     Delta-E=        0.000000000304 Rises=F Damp=F
 DIIS: error= 1.07D-07 at cycle  22 NSaved=  16.
 NSaved=16 IEnMin=14 EnMin= -3574.22407917759     IErMin=14 ErrMin= 2.26D-10
 ErrMax= 1.07D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.87D-12 BMatP= 3.99D-17
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Large coefficients: NSaved= 16 BigCof=    0.00 CofMax=   10.00 Det=-6.25D-18
 Inversion failed.  Reducing to 15 matrices.
 Coeff-Com:  0.184D-04 0.110D-03 0.566D-03 0.212D-02 0.788D-02 0.194D-01
 Coeff-Com: -0.284D-02-0.316D-03-0.138D-01-0.125D-01-0.391D-01 0.178D+00
 Coeff-Com:  0.859D+00-0.872D+00 0.873D+00
 Coeff:      0.184D-04 0.110D-03 0.566D-03 0.212D-02 0.788D-02 0.194D-01
 Coeff:     -0.284D-02-0.316D-03-0.138D-01-0.125D-01-0.391D-01 0.178D+00
 Coeff:      0.859D+00-0.872D+00 0.873D+00
 Gap=     0.143 Goal=   None    Shift=    0.000
 RMSDP=2.77D-08 MaxDP=1.76D-06 DE= 3.04D-10 OVMax= 1.12D-09

 Cycle  23  Pass 1  IDiag  1:
 RMSU=  2.37D-08    CP:  1.00D+00 -3.00D+00
 E= -3574.22407917355     Delta-E=        0.000000000339 Rises=F Damp=F
 DIIS: error= 1.04D-07 at cycle  23 NSaved=  16.
 NSaved=16 IEnMin=13 EnMin= -3574.22407917759     IErMin=13 ErrMin= 2.26D-10
 ErrMax= 1.04D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.79D-12 BMatP= 3.99D-17
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Large coefficients: NSaved= 16 BigCof=    0.00 CofMax=   10.00 Det=-2.28D-18
 Inversion failed.  Reducing to 15 matrices.
 Coeff-Com:  0.597D-05 0.534D-04 0.322D-03 0.119D-02 0.449D-02-0.350D-01
 Coeff-Com:  0.522D-01-0.653D-02-0.177D-01 0.417D-01 0.257D-01 0.210D+00
 Coeff-Com:  0.722D+00 0.290D+00-0.289D+00
 Coeff:      0.597D-05 0.534D-04 0.322D-03 0.119D-02 0.449D-02-0.350D-01
 Coeff:      0.522D-01-0.653D-02-0.177D-01 0.417D-01 0.257D-01 0.210D+00
 Coeff:      0.722D+00 0.290D+00-0.289D+00
 Gap=     0.143 Goal=   None    Shift=    0.000
 RMSDP=1.61D-08 MaxDP=1.11D-06 DE= 3.39D-10 OVMax= 7.20D-10

 Cycle  24  Pass 1  IDiag  1:
 RMSU=  1.05D-08    CP:  1.00D+00 -3.00D+00  1.51D+00
 E= -3574.22407917376     Delta-E=       -0.000000000209 Rises=F Damp=F
 DIIS: error= 1.03D-07 at cycle  24 NSaved=  16.
 NSaved=16 IEnMin=13 EnMin= -3574.22407917759     IErMin=13 ErrMin= 2.26D-10
 ErrMax= 1.03D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.76D-12 BMatP= 3.99D-17
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Large coefficients: NSaved= 16 BigCof=    0.00 CofMax=   10.00 Det=-5.23D-18
 Inversion failed.  Reducing to 15 matrices.
 Coeff-Com: -0.159D-04-0.327D-04 0.361D-04 0.321D-03 0.134D-02-0.104D+00
 Coeff-Com:  0.123D+00-0.147D-01-0.274D-01 0.608D-01 0.193D-01 0.136D+00
 Coeff-Com:  0.804D+00 0.561D+00-0.560D+00
 Coeff:     -0.159D-04-0.327D-04 0.361D-04 0.321D-03 0.134D-02-0.104D+00
 Coeff:      0.123D+00-0.147D-01-0.274D-01 0.608D-01 0.193D-01 0.136D+00
 Coeff:      0.804D+00 0.561D+00-0.560D+00
 Gap=     0.143 Goal=   None    Shift=    0.000
 RMSDP=1.05D-08 MaxDP=6.77D-07 DE=-2.09D-10 OVMax= 1.03D-09

 Cycle  25  Pass 1  IDiag  1:
 RMSU=  3.51D-09    CP:  1.00D+00 -3.00D+00  1.21D+00  3.51D-01
 E= -3574.22407917391     Delta-E=       -0.000000000153 Rises=F Damp=F
 DIIS: error= 1.03D-07 at cycle  25 NSaved=  16.
 NSaved=16 IEnMin=13 EnMin= -3574.22407917759     IErMin=13 ErrMin= 2.26D-10
 ErrMax= 1.03D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.77D-12 BMatP= 3.99D-17
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Large coefficients: NSaved= 16 BigCof=    0.00 CofMax=   10.00 Det=-1.40D-17
 Inversion failed.  Reducing to 15 matrices.
 Coeff-Com:  0.204D-04 0.119D-03 0.624D-03 0.239D-02 0.916D-02 0.516D-01
 Coeff-Com: -0.362D-01 0.610D-02-0.372D-02-0.421D-01-0.751D-01 0.157D+00
 Coeff-Com:  0.929D+00-0.486D+00 0.488D+00
 Coeff:      0.204D-04 0.119D-03 0.624D-03 0.239D-02 0.916D-02 0.516D-01
 Coeff:     -0.362D-01 0.610D-02-0.372D-02-0.421D-01-0.751D-01 0.157D+00
 Coeff:      0.929D+00-0.486D+00 0.488D+00
 Gap=     0.143 Goal=   None    Shift=    0.000
 RMSDP=1.73D-08 MaxDP=1.09D-06 DE=-1.53D-10 OVMax= 1.55D-09

 Cycle  26  Pass 1  IDiag  1:
 RMSU=  2.49D-09    CP:  1.00D+00 -1.54D+00  5.91D-01 -1.45D-02  4.51D-01
 E= -3574.22407917440     Delta-E=       -0.000000000491 Rises=F Damp=F
 DIIS: error= 1.05D-07 at cycle  26 NSaved=  16.
 NSaved=16 IEnMin=13 EnMin= -3574.22407917759     IErMin=13 ErrMin= 2.26D-10
 ErrMax= 1.05D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.81D-12 BMatP= 3.99D-17
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Large coefficients: NSaved= 16 BigCof=    0.00 CofMax=   10.00 Det=-1.07D-17
 Inversion failed.  Reducing to 15 matrices.
 Coeff-Com: -0.262D-04-0.743D-04-0.108D-03-0.968D-04-0.458D-03-0.167D+00
 Coeff-Com:  0.189D+00-0.216D-01-0.424D-01 0.386D-01 0.186D-01 0.158D+00
 Coeff-Com:  0.827D+00-0.368D+00 0.369D+00
 Coeff:     -0.262D-04-0.743D-04-0.108D-03-0.968D-04-0.458D-03-0.167D+00
 Coeff:      0.189D+00-0.216D-01-0.424D-01 0.386D-01 0.186D-01 0.158D+00
 Coeff:      0.827D+00-0.368D+00 0.369D+00
 Gap=     0.143 Goal=   None    Shift=    0.000
 RMSDP=8.02D-09 MaxDP=4.28D-07 DE=-4.91D-10 OVMax= 2.09D-09

 SCF Done:  E(RB3LYP) =  -3574.22407917     A.U. after   26 cycles
            NFock= 26  Conv=0.80D-08     -V/T= 2.0025
 KE= 3.565163000280D+03 PE=-1.402108068579D+04 EE= 4.106184687439D+03
 Leave Link  502 at Fri Jul 16 13:33:35 2021, MaxMem=  6442450944 cpu:           31474.4 elap:            3944.0
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l801.exe)
 DoSCS=F DFT=T ScalE2(SS,OS)=  1.000000  1.000000
 Range of M.O.s used for correlation:     1   757
 NBasis=   769 NAE=   103 NBE=   103 NFC=     0 NFV=     0
 NROrb=    757 NOA=   103 NOB=   103 NVA=   654 NVB=   654

 **** Warning!!: The largest alpha MO coefficient is  0.18058231D+03

 Leave Link  801 at Fri Jul 16 13:33:35 2021, MaxMem=  6442450944 cpu:               0.5 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1002.exe)
 Minotr:  Closed shell wavefunction.
          Direct CPHF calculation.
          Differentiating once with respect to electric field.
                with respect to dipole field.
                with respect to quadrupole field.
          Differentiating once with respect to magnetic field using GIAOs.
          Electric field/nuclear overlap derivatives assumed to be zero.
          Requested convergence is 1.0D-08 RMS, and 1.0D-07 maximum.
          Secondary convergence is 1.0D-12 RMS, and 1.0D-12 maximum.
          NewPWx=F KeepS1=T KeepF1=T KeepIn=T MapXYZ=F SortEE=F KeepMc=T.
        12972 words used for storage of precomputed grid.
 Two-electron integral symmetry used by symmetrizing perturbed Fock matrices.
          MDV=    6442450944 using IRadAn=       1.
          Solving linear equations simultaneously, MaxMat=     384.
          Doing perturbations at frequencies    0.085645
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=      6100 IOpCl=  0 I1Cent=           7 NGrid=          42
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 FoFJK:  IHMeth= 1 ICntrl=    6127 DoSepK=F KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 CalDSu exits because no D1Ps are significant.
          There are    12 degrees of freedom in the 1st order CPHF.  IDoFFX=0 NUNeed=    12.
     11 vectors produced by pass  0 Test12= 1.12D-12 8.33D-09 XBig12= 1.00D+00 4.30D-01.
 AX will form    11 AO Fock derivatives at one time.
     11 vectors produced by pass  1 Test12= 1.12D-12 8.33D-09 XBig12= 8.96D-01 2.06D-01.
     11 vectors produced by pass  2 Test12= 1.12D-12 8.33D-09 XBig12= 2.45D-01 7.17D-02.
     11 vectors produced by pass  3 Test12= 1.12D-12 8.33D-09 XBig12= 5.23D-02 3.65D-02.
     11 vectors produced by pass  4 Test12= 1.12D-12 8.33D-09 XBig12= 1.28D-02 2.75D-02.
     11 vectors produced by pass  5 Test12= 1.12D-12 8.33D-09 XBig12= 2.18D-03 1.33D-02.
     11 vectors produced by pass  6 Test12= 1.12D-12 8.33D-09 XBig12= 5.09D-04 4.88D-03.
     11 vectors produced by pass  7 Test12= 1.12D-12 8.33D-09 XBig12= 6.84D-05 1.00D-03.
     11 vectors produced by pass  8 Test12= 1.12D-12 8.33D-09 XBig12= 4.95D-06 4.15D-04.
     11 vectors produced by pass  9 Test12= 1.12D-12 8.33D-09 XBig12= 1.86D-07 4.58D-05.
     11 vectors produced by pass 10 Test12= 1.12D-12 8.33D-09 XBig12= 5.32D-09 8.86D-06.
     11 vectors produced by pass 11 Test12= 1.12D-12 8.33D-09 XBig12= 1.81D-10 1.53D-06.
      9 vectors produced by pass 12 Test12= 1.12D-12 8.33D-09 XBig12= 5.23D-12 2.27D-07.
      7 vectors produced by pass 13 Test12= 1.12D-12 8.33D-09 XBig12= 5.75D-13 3.79D-08.
      7 vectors produced by pass 14 Test12= 1.12D-12 8.33D-09 XBig12= 2.78D-13 2.72D-08.
      4 vectors produced by pass 15 Test12= 1.12D-12 8.33D-09 XBig12= 9.45D-14 1.24D-08.
      3 vectors produced by pass 16 Test12= 1.12D-12 8.33D-09 XBig12= 8.52D-13 4.08D-08.
      3 vectors produced by pass 17 Test12= 1.12D-12 8.33D-09 XBig12= 8.78D-11 3.42D-07.
      3 vectors produced by pass 18 Test12= 1.12D-12 8.33D-09 XBig12= 6.46D-11 2.81D-07.
      3 vectors produced by pass 19 Test12= 1.12D-12 8.33D-09 XBig12= 4.80D-11 2.16D-07.
      3 vectors produced by pass 20 Test12= 1.12D-12 8.33D-09 XBig12= 3.40D-11 2.08D-07.
      3 vectors produced by pass 21 Test12= 1.12D-12 8.33D-09 XBig12= 2.70D-11 1.80D-07.
      3 vectors produced by pass 22 Test12= 1.12D-12 8.33D-09 XBig12= 1.14D-11 1.16D-07.
      3 vectors produced by pass 23 Test12= 1.12D-12 8.33D-09 XBig12= 1.05D-11 1.11D-07.
      3 vectors produced by pass 24 Test12= 1.12D-12 8.33D-09 XBig12= 7.90D-12 8.61D-08.
      3 vectors produced by pass 25 Test12= 1.12D-12 8.33D-09 XBig12= 3.76D-12 5.81D-08.
      2 vectors produced by pass 26 Test12= 1.12D-12 8.33D-09 XBig12= 2.26D-12 4.81D-08.
      2 vectors produced by pass 27 Test12= 1.12D-12 8.33D-09 XBig12= 1.61D-12 3.98D-08.
      2 vectors produced by pass 28 Test12= 1.12D-12 8.33D-09 XBig12= 1.15D-12 3.10D-08.
      2 vectors produced by pass 29 Test12= 1.12D-12 8.33D-09 XBig12= 9.59D-13 2.61D-08.
      1 vectors produced by pass 30 Test12= 1.12D-12 8.33D-09 XBig12= 5.99D-13 2.19D-08.
      1 vectors produced by pass 31 Test12= 1.12D-12 8.33D-09 XBig12= 5.23D-13 2.46D-08.
      1 vectors produced by pass 32 Test12= 1.12D-12 8.33D-09 XBig12= 4.61D-13 2.63D-08.
      1 vectors produced by pass 33 Test12= 1.12D-12 8.33D-09 XBig12= 5.31D-13 2.57D-08.
      1 vectors produced by pass 34 Test12= 1.12D-12 8.33D-09 XBig12= 3.45D-13 1.63D-08.
      1 vectors produced by pass 35 Test12= 1.12D-12 8.33D-09 XBig12= 3.81D-13 1.99D-08.
      1 vectors produced by pass 36 Test12= 1.12D-12 8.33D-09 XBig12= 2.51D-13 1.46D-08.
      1 vectors produced by pass 37 Test12= 1.12D-12 8.33D-09 XBig12= 2.77D-13 1.61D-08.
      1 vectors produced by pass 38 Test12= 1.12D-12 8.33D-09 XBig12= 2.47D-13 1.62D-08.
      1 vectors produced by pass 39 Test12= 1.12D-12 8.33D-09 XBig12= 2.25D-13 1.56D-08.
      1 vectors produced by pass 40 Test12= 1.12D-12 8.33D-09 XBig12= 1.95D-13 1.55D-08.
      1 vectors produced by pass 41 Test12= 1.12D-12 8.33D-09 XBig12= 2.83D-13 1.89D-08.
      1 vectors produced by pass 42 Test12= 1.12D-12 8.33D-09 XBig12= 2.35D-13 1.33D-08.
      1 vectors produced by pass 43 Test12= 1.12D-12 8.33D-09 XBig12= 2.74D-13 1.57D-08.
      1 vectors produced by pass 44 Test12= 1.12D-12 8.33D-09 XBig12= 2.77D-13 1.54D-08.
      1 vectors produced by pass 45 Test12= 1.12D-12 8.33D-09 XBig12= 1.91D-13 1.38D-08.
      1 vectors produced by pass 46 Test12= 1.12D-12 8.33D-09 XBig12= 3.94D-13 2.05D-08.
      1 vectors produced by pass 47 Test12= 1.12D-12 8.33D-09 XBig12= 4.22D-13 1.83D-08.
      1 vectors produced by pass 48 Test12= 1.12D-12 8.33D-09 XBig12= 3.00D-13 1.62D-08.
      1 vectors produced by pass 49 Test12= 1.12D-12 8.33D-09 XBig12= 1.84D-13 1.53D-08.
      1 vectors produced by pass 50 Test12= 1.12D-12 8.33D-09 XBig12= 1.31D-13 1.16D-08.
      1 vectors produced by pass 51 Test12= 1.12D-12 8.33D-09 XBig12= 1.18D-13 1.18D-08.
      1 vectors produced by pass 52 Test12= 1.12D-12 8.33D-09 XBig12= 1.32D-13 9.42D-09.
      1 vectors produced by pass 53 Test12= 1.12D-12 8.33D-09 XBig12= 1.14D-13 9.84D-09.
      1 vectors produced by pass 54 Test12= 1.12D-12 8.33D-09 XBig12= 1.11D-13 1.06D-08.
      1 vectors produced by pass 55 Test12= 1.12D-12 8.33D-09 XBig12= 1.34D-13 1.14D-08.
      1 vectors produced by pass 56 Test12= 1.12D-12 8.33D-09 XBig12= 1.11D-13 1.33D-08.
      1 vectors produced by pass 57 Test12= 1.12D-12 8.33D-09 XBig12= 1.15D-13 1.07D-08.
      1 vectors produced by pass 58 Test12= 1.12D-12 8.33D-09 XBig12= 1.27D-13 1.02D-08.
      1 vectors produced by pass 59 Test12= 1.12D-12 8.33D-09 XBig12= 1.11D-13 1.09D-08.
      1 vectors produced by pass 60 Test12= 1.12D-12 8.33D-09 XBig12= 1.31D-13 1.01D-08.
 InvSVY:  IOpt=1 It=  1 EMax= 2.84D-13
 Solved reduced A of dimension   228 with    12 vectors.
 FullF1:  Do perturbations      1 to      12.
 SCF Polarizability for W=    0.085645:
                1             2             3 
      1  0.474253D+03
      2 -0.187190D+02  0.443690D+03
      3  0.501661D+02  0.420841D+02  0.252687D+03
 Isotropic polarizability for W=    0.085645      390.21 Bohr**3.
 Dipole-quadrupole polarizability for W=    0.085645:
                 1             2             3 
      1  -0.727359D+03  0.707930D+02 -0.348043D+03
      2   0.243111D+03  0.159248D+02 -0.198922D+02
      3   0.484248D+03 -0.867178D+02  0.367935D+03
      4   0.120626D+03 -0.391678D+03 -0.346215D+03
      5  -0.146646D+03 -0.235804D+03  0.658300D+02
      6  -0.329878D+03  0.118037D+03 -0.193210D+03
 Dipole-magnetic dipole polarizability for W=    0.085645:
                 1             2             3 
      1   0.226441D+03 -0.683854D+02  0.169568D+03
      2  -0.123373D+03 -0.966328D+02 -0.489641D+02
      3   0.163577D+03  0.825467D+03 -0.293114D+03
 DQ contribution to OR G for W=    0.085645:
                 1             2             3 
      1   0.110411D+03  0.137929D+03  0.106493D+03
      2  -0.201397D+03 -0.163368D+02 -0.418418D+03
      3   0.498332D+02  0.634790D+03 -0.940744D+02
 Optical Rotation G' tensor for W=    0.085645:
                 1             2             3 
      1  -0.167271D+03  0.400063D+02 -0.637455D+02
      2   0.400063D+02 -0.374206D+02 -0.167079D+03
      3  -0.637455D+02 -0.167079D+03  0.413855D+02
 OR G Eigenvalues:  -186.7395  -165.9138   189.3475  Iso=    54.4352
 Eigenvectors:
   (1)   0.885967   0.219643   0.408435
   (2)  -0.415773   0.766318   0.489785
   (3)  -0.205413  -0.603750   0.770254
 w=    0.085645 a.u., Optical Rotation Beta=     54.4352 au.
 Molar Mass =    407.3085 grams/mole, [Alpha] ( 5320.0 A) =     6338.42 deg.
 PxScal for PaGxPb-FJK:  IOpCl= 0 ISclPx=1 IMOff=     1 NMtTot=    25 NTT=  296065 ScalPx= 3.17D+02
 PxSclF for G(T1ab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=  296065 IRwP= 19996     0 IPTmp= 19977     0 ScalPx= 1.81D+04
 FullF1:  Do perturbations      1 to      30.
          There are    36 degrees of freedom in the 2nd order CPHF.
     30 vectors produced by pass  0 Test12= 1.87D-13 2.78D-09 XBig12= 1.00D+00 3.57D-01.
     30 vectors produced by pass  1 Test12= 1.87D-13 2.78D-09 XBig12= 4.34D-02 6.15D-02.
     30 vectors produced by pass  2 Test12= 1.87D-13 2.78D-09 XBig12= 6.94D-03 1.19D-02.
     30 vectors produced by pass  3 Test12= 1.87D-13 2.78D-09 XBig12= 5.96D-04 2.65D-03.
     30 vectors produced by pass  4 Test12= 1.87D-13 2.78D-09 XBig12= 2.33D-05 4.86D-04.
     30 vectors produced by pass  5 Test12= 1.87D-13 2.78D-09 XBig12= 4.86D-07 8.32D-05.
     30 vectors produced by pass  6 Test12= 1.87D-13 2.78D-09 XBig12= 7.37D-09 9.87D-06.
     30 vectors produced by pass  7 Test12= 1.87D-13 2.78D-09 XBig12= 1.13D-10 9.13D-07.
     30 vectors produced by pass  8 Test12= 1.87D-13 2.78D-09 XBig12= 1.68D-12 1.19D-07.
     18 vectors produced by pass  9 Test12= 1.87D-13 2.78D-09 XBig12= 1.98D-13 2.84D-08.
      9 vectors produced by pass 10 Test12= 1.87D-13 2.78D-09 XBig12= 7.53D-14 1.61D-08.
      4 vectors produced by pass 11 Test12= 1.87D-13 2.78D-09 XBig12= 1.89D-14 7.23D-09.
      4 vectors produced by pass 12 Test12= 1.87D-13 2.78D-09 XBig12= 2.95D-13 2.30D-08.
      4 vectors produced by pass 13 Test12= 1.87D-13 2.78D-09 XBig12= 9.28D-11 5.02D-07.
      4 vectors produced by pass 14 Test12= 1.87D-13 2.78D-09 XBig12= 2.06D-10 6.27D-07.
      4 vectors produced by pass 15 Test12= 1.87D-13 2.78D-09 XBig12= 7.42D-11 4.22D-07.
      4 vectors produced by pass 16 Test12= 1.87D-13 2.78D-09 XBig12= 1.47D-11 1.63D-07.
      4 vectors produced by pass 17 Test12= 1.87D-13 2.78D-09 XBig12= 6.47D-12 8.83D-08.
      4 vectors produced by pass 18 Test12= 1.87D-13 2.78D-09 XBig12= 3.68D-12 7.69D-08.
      4 vectors produced by pass 19 Test12= 1.87D-13 2.78D-09 XBig12= 2.33D-12 5.66D-08.
      4 vectors produced by pass 20 Test12= 1.87D-13 2.78D-09 XBig12= 1.23D-12 5.74D-08.
      4 vectors produced by pass 21 Test12= 1.87D-13 2.78D-09 XBig12= 1.40D-12 5.66D-08.
      2 vectors produced by pass 22 Test12= 1.87D-13 2.78D-09 XBig12= 6.01D-13 2.73D-08.
      2 vectors produced by pass 23 Test12= 1.87D-13 2.78D-09 XBig12= 3.77D-13 2.56D-08.
      2 vectors produced by pass 24 Test12= 1.87D-13 2.78D-09 XBig12= 3.83D-13 2.23D-08.
      2 vectors produced by pass 25 Test12= 1.87D-13 2.78D-09 XBig12= 2.27D-13 1.84D-08.
      2 vectors produced by pass 26 Test12= 1.87D-13 2.78D-09 XBig12= 1.31D-13 1.89D-08.
      2 vectors produced by pass 27 Test12= 1.87D-13 2.78D-09 XBig12= 1.47D-13 1.59D-08.
      2 vectors produced by pass 28 Test12= 1.87D-13 2.78D-09 XBig12= 1.30D-13 1.29D-08.
      2 vectors produced by pass 29 Test12= 1.87D-13 2.78D-09 XBig12= 1.14D-13 1.03D-08.
      2 vectors produced by pass 30 Test12= 1.87D-13 2.78D-09 XBig12= 8.98D-14 1.19D-08.
      2 vectors produced by pass 31 Test12= 1.87D-13 2.78D-09 XBig12= 8.62D-14 1.07D-08.
      2 vectors produced by pass 32 Test12= 1.87D-13 2.78D-09 XBig12= 7.97D-14 1.05D-08.
      2 vectors produced by pass 33 Test12= 1.87D-13 2.78D-09 XBig12= 7.78D-14 1.32D-08.
      2 vectors produced by pass 34 Test12= 1.87D-13 2.78D-09 XBig12= 5.53D-14 8.20D-09.
      2 vectors produced by pass 35 Test12= 1.87D-13 2.78D-09 XBig12= 7.30D-14 9.35D-09.
      2 vectors produced by pass 36 Test12= 1.87D-13 2.78D-09 XBig12= 5.55D-14 9.63D-09.
      2 vectors produced by pass 37 Test12= 1.87D-13 2.78D-09 XBig12= 6.43D-14 9.94D-09.
      2 vectors produced by pass 38 Test12= 1.87D-13 2.78D-09 XBig12= 4.81D-14 7.10D-09.
      2 vectors produced by pass 39 Test12= 1.87D-13 2.78D-09 XBig12= 5.02D-14 9.02D-09.
      2 vectors produced by pass 40 Test12= 1.87D-13 2.78D-09 XBig12= 5.19D-14 8.62D-09.
      1 vectors produced by pass 41 Test12= 1.87D-13 2.78D-09 XBig12= 5.68D-14 9.82D-09.
      1 vectors produced by pass 42 Test12= 1.87D-13 2.78D-09 XBig12= 5.87D-14 1.01D-08.
      1 vectors produced by pass 43 Test12= 1.87D-13 2.78D-09 XBig12= 5.27D-14 9.76D-09.
      1 vectors produced by pass 44 Test12= 1.87D-13 2.78D-09 XBig12= 5.11D-14 8.59D-09.
      1 vectors produced by pass 45 Test12= 1.87D-13 2.78D-09 XBig12= 3.75D-14 7.19D-09.
      1 vectors produced by pass 46 Test12= 1.87D-13 2.78D-09 XBig12= 3.34D-14 7.22D-09.
      1 vectors produced by pass 47 Test12= 1.87D-13 2.78D-09 XBig12= 2.84D-14 6.83D-09.
      1 vectors produced by pass 48 Test12= 1.87D-13 2.78D-09 XBig12= 3.00D-14 5.81D-09.
      1 vectors produced by pass 49 Test12= 1.87D-13 2.78D-09 XBig12= 2.71D-14 5.42D-09.
      1 vectors produced by pass 50 Test12= 1.87D-13 2.78D-09 XBig12= 3.22D-14 6.21D-09.
      1 vectors produced by pass 51 Test12= 1.87D-13 2.78D-09 XBig12= 2.20D-14 6.09D-09.
      1 vectors produced by pass 52 Test12= 1.87D-13 2.78D-09 XBig12= 2.15D-14 5.04D-09.
      1 vectors produced by pass 53 Test12= 1.87D-13 2.78D-09 XBig12= 1.97D-14 5.41D-09.
      1 vectors produced by pass 54 Test12= 1.87D-13 2.78D-09 XBig12= 2.07D-14 5.23D-09.
      1 vectors produced by pass 55 Test12= 1.87D-13 2.78D-09 XBig12= 1.25D-14 4.95D-09.
      1 vectors produced by pass 56 Test12= 1.87D-13 2.78D-09 XBig12= 1.49D-14 5.26D-09.
      1 vectors produced by pass 57 Test12= 1.87D-13 2.78D-09 XBig12= 1.18D-14 3.95D-09.
      1 vectors produced by pass 58 Test12= 1.87D-13 2.78D-09 XBig12= 1.22D-14 4.16D-09.
      1 vectors produced by pass 59 Test12= 1.87D-13 2.78D-09 XBig12= 1.39D-14 4.53D-09.
      1 vectors produced by pass 60 Test12= 1.87D-13 2.78D-09 XBig12= 1.57D-14 4.43D-09.
      1 vectors produced by pass 61 Test12= 1.87D-13 2.78D-09 XBig12= 1.35D-14 5.34D-09.
      1 vectors produced by pass 62 Test12= 1.87D-13 2.78D-09 XBig12= 1.26D-14 4.40D-09.
      1 vectors produced by pass 63 Test12= 1.87D-13 2.78D-09 XBig12= 1.04D-14 4.05D-09.
      1 vectors produced by pass 64 Test12= 1.87D-13 2.78D-09 XBig12= 1.53D-14 4.48D-09.
      1 vectors produced by pass 65 Test12= 1.87D-13 2.78D-09 XBig12= 1.88D-14 6.43D-09.
      1 vectors produced by pass 66 Test12= 1.87D-13 2.78D-09 XBig12= 1.21D-14 4.03D-09.
      1 vectors produced by pass 67 Test12= 1.87D-13 2.78D-09 XBig12= 1.38D-14 4.44D-09.
      1 vectors produced by pass 68 Test12= 1.87D-13 2.78D-09 XBig12= 1.14D-14 3.58D-09.
      1 vectors produced by pass 69 Test12= 1.87D-13 2.78D-09 XBig12= 1.29D-14 4.50D-09.
      1 vectors produced by pass 70 Test12= 1.87D-13 2.78D-09 XBig12= 1.48D-14 4.76D-09.
      1 vectors produced by pass 71 Test12= 1.87D-13 2.78D-09 XBig12= 1.76D-14 4.67D-09.
      1 vectors produced by pass 72 Test12= 1.87D-13 2.78D-09 XBig12= 1.90D-14 5.79D-09.
      1 vectors produced by pass 73 Test12= 1.87D-13 2.78D-09 XBig12= 1.24D-14 3.77D-09.
      1 vectors produced by pass 74 Test12= 1.87D-13 2.78D-09 XBig12= 1.08D-14 4.88D-09.
      1 vectors produced by pass 75 Test12= 1.87D-13 2.78D-09 XBig12= 9.60D-15 3.39D-09.
      1 vectors produced by pass 76 Test12= 1.87D-13 2.78D-09 XBig12= 6.63D-15 2.88D-09.
      1 vectors produced by pass 77 Test12= 1.87D-13 2.78D-09 XBig12= 1.03D-14 3.36D-09.
      1 vectors produced by pass 78 Test12= 1.87D-13 2.78D-09 XBig12= 8.41D-15 3.31D-09.
      1 vectors produced by pass 79 Test12= 1.87D-13 2.78D-09 XBig12= 8.82D-15 3.45D-09.
      1 vectors produced by pass 80 Test12= 1.87D-13 2.78D-09 XBig12= 7.06D-15 2.97D-09.
      1 vectors produced by pass 81 Test12= 1.87D-13 2.78D-09 XBig12= 8.21D-15 3.85D-09.
      1 vectors produced by pass 82 Test12= 1.87D-13 2.78D-09 XBig12= 7.92D-15 3.61D-09.
      1 vectors produced by pass 83 Test12= 1.87D-13 2.78D-09 XBig12= 7.98D-15 3.29D-09.
      1 vectors produced by pass 84 Test12= 1.87D-13 2.78D-09 XBig12= 7.40D-15 3.05D-09.
      1 vectors produced by pass 85 Test12= 1.87D-13 2.78D-09 XBig12= 7.35D-15 3.01D-09.
      1 vectors produced by pass 86 Test12= 1.87D-13 2.78D-09 XBig12= 6.92D-15 3.02D-09.
      1 vectors produced by pass 87 Test12= 1.87D-13 2.78D-09 XBig12= 6.80D-15 3.59D-09.
 InvSVY:  IOpt=1 It=  1 EMax= 2.22D-15
 Solved reduced A of dimension   426 with    30 vectors.
 PxScal for FxTab-FJK:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=  296065 ScalPx= 1.84D+04
 PxScal for FxTab-XC:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=  296065 ScalPx= 1.84D+04
 PxSclF for G(Xab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=  296065 IRwP= 19978     0 IPTmp= 19973     0 ScalPx= 1.36D+04
 FullF1:  Do perturbations      1 to      30.
 End of Minotr F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.474253D+03 -0.187190D+02  0.501661D+02
      2  -0.187190D+02  0.443690D+03  0.420841D+02
      3   0.501661D+02  0.420841D+02  0.252687D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1   0.226441D+03 -0.683854D+02  0.169568D+03
      2  -0.123373D+03 -0.966328D+02 -0.489641D+02
      3   0.163577D+03  0.825467D+03 -0.293114D+03
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1  -0.727359D+03  0.707930D+02 -0.348043D+03
      2   0.243111D+03  0.159248D+02 -0.198922D+02
      3   0.484248D+03 -0.867178D+02  0.367935D+03
      4   0.120626D+03 -0.391678D+03 -0.346215D+03
      5  -0.146646D+03 -0.235804D+03  0.658300D+02
      6  -0.329878D+03  0.118037D+03 -0.193210D+03
 End of Minotr F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=   126 ND12= 1 LenFil=    4539:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.116457D+01  0.126399D+01  0.667705D-02  0.603953D+00 -0.760499D+00
      2   0.126399D+01 -0.183134D+01  0.359216D+00 -0.760499D+00  0.181440D+01
      3   0.667705D-02  0.359216D+00 -0.958416D+00 -0.518719D+00  0.299006D+00
                 6             7             8             9            10 
      1  -0.518719D+00 -0.253130D+00 -0.184507D+00 -0.454694D+00 -0.365566D+01
      2   0.299006D+00 -0.184507D+00 -0.581015D+00  0.766685D+00  0.111380D+01
      3   0.109226D+01 -0.454694D+00  0.766685D+00  0.416896D+00 -0.236103D+01
                11            12            13            14            15 
      1   0.111380D+01 -0.236103D+01 -0.229224D+01  0.660400D+00 -0.169116D+01
      2  -0.132226D+01 -0.100054D+01  0.660400D+00  0.242584D+00 -0.116388D+01
      3  -0.100054D+01 -0.849738D+01 -0.169116D+01 -0.116388D+01 -0.163513D+01
                16            17            18            19            20 
      1  -0.392479D+01  0.771994D+00 -0.521986D+01  0.467634D+01 -0.158632D+01
      2   0.771994D+00 -0.674333D+01  0.172970D+01 -0.158632D+01  0.521414D+01
      3  -0.521986D+01  0.172970D+01 -0.711508D+01  0.209873D+01 -0.402146D+00
                21            22            23            24            25 
      1   0.209873D+01  0.363145D+01  0.133828D+01  0.355104D+01  0.398311D+01
      2  -0.402146D+00  0.133828D+01 -0.110254D+01  0.295351D+00 -0.187748D+01
      3  -0.376770D+00  0.355104D+01  0.295351D+00  0.161826D+01  0.420516D+01
                26            27            28            29            30 
      1  -0.187748D+01  0.420516D+01  0.843251D+00  0.235494D+00  0.147915D+01
      2   0.224556D+01 -0.295491D+01  0.235494D+00  0.240765D+00 -0.771845D-02
      3  -0.295491D+01  0.123177D+02  0.147915D+01 -0.771845D-02  0.195430D+01
                31            32            33            34            35 
      1   0.208722D+00  0.879064D+00  0.123214D+01  0.140596D+01  0.115594D+01
      2   0.879064D+00  0.190220D+01  0.292311D+01  0.115594D+01  0.165951D+01
      3   0.123214D+01  0.292311D+01  0.591361D+01  0.213297D+01  0.317708D+01
                36            37            38            39            40 
      1   0.213297D+01  0.615047D+01  0.417145D+00  0.307893D+01  0.811838D+01
      2   0.317708D+01  0.417145D+00  0.235966D+01  0.947025D+00 -0.240424D+01
      3   0.652785D+01  0.307893D+01  0.947025D+00  0.389858D+01  0.239956D+01
                41            42            43            44            45 
      1  -0.240424D+01  0.239956D+01  0.595471D+01 -0.478217D+01  0.634940D+01
      2   0.462367D+01 -0.797295D+00 -0.478217D+01  0.700942D+01 -0.461234D+01
      3  -0.797295D+00 -0.188932D+01  0.634940D+01 -0.461234D+01  0.114585D+02
                46            47            48            49            50 
      1   0.834455D+01 -0.167127D+01  0.652444D+01 -0.798067D+00  0.907063D+00
      2  -0.167127D+01  0.675687D+00 -0.155720D+01  0.907063D+00 -0.242751D+00
      3   0.652444D+01 -0.155720D+01  0.606277D+01  0.143941D+00  0.634490D+00
                51            52            53            54            55 
      1   0.143941D+00  0.577406D+01 -0.491191D+00  0.509634D+01 -0.131925D+01
      2   0.634490D+00 -0.491191D+00  0.178068D+00 -0.445456D+00  0.154372D+01
      3   0.109833D+01  0.509634D+01 -0.445456D+00  0.505485D+01 -0.370269D+01
                56            57            58            59            60 
      1   0.154372D+01 -0.370269D+01 -0.629068D+01  0.195401D+01 -0.667793D+01
      2  -0.320995D+01  0.213056D+01  0.195401D+01 -0.572325D+01  0.434039D+01
      3   0.213056D+01 -0.246111D+01 -0.667793D+01  0.434039D+01 -0.743273D+01
                61            62            63            64            65 
      1  -0.117416D+02  0.262731D+01 -0.677506D+01  0.539528D+01 -0.466303D+01
      2   0.262731D+01 -0.243680D+01  0.142491D+01 -0.466303D+01  0.461473D+01
      3  -0.677506D+01  0.142491D+01 -0.724275D+01  0.118344D+01 -0.119144D+01
                66            67            68            69            70 
      1   0.118344D+01 -0.483806D+01  0.488681D+01 -0.470944D+00  0.457958D+00
      2  -0.119144D+01  0.488681D+01 -0.583134D+01  0.799053D+00  0.871506D-01
      3   0.714614D+00 -0.470944D+00  0.799053D+00 -0.344354D+00  0.520859D+00
                71            72            73            74            75 
      1   0.871506D-01  0.520859D+00  0.132506D+02 -0.461337D+01  0.120696D+02
      2  -0.648360D+00 -0.636686D+00 -0.461337D+01  0.495678D+01 -0.304558D+01
      3  -0.636686D+00  0.111031D+00  0.120696D+02 -0.304558D+01  0.120230D+02
                76            77            78            79            80 
      1  -0.166084D+02  0.644450D+01 -0.194952D+02 -0.171432D+01  0.731295D+00
      2   0.644450D+01 -0.709932D+01  0.313501D+01  0.731295D+00  0.874684D+00
      3  -0.194952D+02  0.313501D+01 -0.226085D+02 -0.200634D+01 -0.126074D+01
                81            82            83            84            85 
      1  -0.200634D+01  0.190477D+02 -0.142134D+02  0.109836D+02  0.704648D+01
      2  -0.126074D+01 -0.142134D+02  0.272630D+02 -0.389375D+01 -0.305211D+01
      3  -0.497267D+01  0.109836D+02 -0.389375D+01  0.137657D+02  0.604631D+01
                86            87            88            89            90 
      1  -0.305211D+01  0.604631D+01  0.112955D+02 -0.863443D+01  0.137519D+02
      2  -0.164440D+01  0.692164D+00 -0.863443D+01  0.219565D+02 -0.776975D+01
      3   0.692164D+00  0.713490D+01  0.137519D+02 -0.776975D+01  0.152312D+02
                91            92            93            94            95 
      1  -0.231272D+02  0.599649D+01 -0.199164D+02  0.923964D+01 -0.226982D+01
      2   0.599649D+01 -0.850450D+01  0.365783D+01 -0.226982D+01  0.441946D+01
      3  -0.199164D+02  0.365783D+01 -0.201859D+02  0.128378D+02 -0.559482D+00
                96            97            98            99           100 
      1   0.128378D+02 -0.380627D+01  0.195144D+01 -0.379022D+01  0.103371D+02
      2  -0.559482D+00  0.195144D+01  0.125363D+01  0.209865D+01  0.225361D+01
      3   0.151752D+02 -0.379022D+01  0.209865D+01 -0.326086D+01  0.100411D+02
               101           102           103           104           105 
      1   0.225361D+01  0.100411D+02  0.271768D+02 -0.253875D+02  0.169572D+02
      2  -0.637137D+01 -0.339975D+00 -0.253875D+02  0.494258D+02 -0.122149D+02
      3  -0.339975D+00  0.962691D+01  0.169572D+02 -0.122149D+02  0.114472D+02
               106           107           108           109           110 
      1   0.194182D+02 -0.103996D+02  0.144969D+02 -0.625972D+01 -0.450564D+01
      2  -0.103996D+02  0.226914D+02 -0.572800D+01 -0.450564D+01  0.983103D+01
      3   0.144969D+02 -0.572800D+01  0.128714D+02 -0.783737D+01  0.930440D+00
               111           112           113           114           115 
      1  -0.783737D+01 -0.300027D+02  0.288290D+02 -0.199666D+02 -0.148609D+02
      2   0.930440D+00  0.288290D+02 -0.599370D+02  0.162840D+02  0.103508D+02
      3  -0.627978D+01 -0.199666D+02  0.162840D+02 -0.135295D+02 -0.123405D+02
               116           117           118           119           120 
      1   0.103508D+02 -0.123405D+02 -0.234364D+02  0.229070D+02 -0.135443D+02
      2  -0.185789D+02  0.483669D+01  0.229070D+02 -0.465232D+02  0.124265D+02
      3   0.483669D+01 -0.113291D+02 -0.135443D+02  0.124265D+02 -0.107607D+02
               121           122           123           124           125 
      1   0.676286D+01 -0.132826D+02  0.462004D+01 -0.102927D+02  0.111148D+02
      2  -0.132826D+02  0.200654D+02 -0.618036D+01  0.111148D+02 -0.183203D+02
      3   0.462004D+01 -0.618036D+01  0.340530D+01 -0.720361D+01  0.346630D+01
               126           127           128           129           130 
      1  -0.720361D+01  0.234696D+02 -0.108401D+02  0.798660D+01  0.263908D+01
      2   0.346630D+01 -0.108401D+02  0.802314D+02 -0.900099D+01  0.172881D+02
      3  -0.127243D+02  0.798660D+01 -0.900099D+01  0.328385D+01 -0.892916D+00
               131           132           133           134           135 
      1   0.172881D+02 -0.892916D+00  0.780510D+01  0.261948D+01  0.119945D+01
      2   0.202524D+02  0.424217D+01  0.261948D+01  0.291983D+02 -0.113546D+01
      3   0.424217D+01  0.304321D+00  0.119945D+01 -0.113546D+01  0.296749D+00
               136           137           138           139           140 
      1  -0.238890D+02  0.784350D+01 -0.741169D+01 -0.253072D+01 -0.111699D+02
      2   0.784350D+01 -0.809558D+02  0.107152D+02 -0.111699D+02 -0.167349D+02
      3  -0.741169D+01  0.107152D+02 -0.275868D+01  0.636342D-01 -0.146177D+01
               141           142           143           144           145 
      1   0.636342D-01 -0.614507D+01  0.551463D+00 -0.457162D+01 -0.131865D+02
      2  -0.146177D+01  0.551463D+00 -0.280246D+02  0.276594D+01 -0.998992D+00
      3  -0.123132D+00 -0.457162D+01  0.276594D+01 -0.231744D+01 -0.623986D+01
               146           147           148           149           150 
      1  -0.998992D+00 -0.623986D+01  0.143704D+02  0.363256D+01  0.103384D+02
      2  -0.176992D+02  0.329283D+00  0.363256D+01  0.457520D+02 -0.380510D+01
      3   0.329283D+00 -0.652120D+01  0.103384D+02 -0.380510D+01  0.903187D+01
               151           152           153           154           155 
      1   0.311605D+01  0.311124D+01 -0.345566D+01  0.179000D+02 -0.327613D+01
      2   0.311124D+01  0.667550D+01 -0.299936D+00 -0.327613D+01  0.208070D+02
      3  -0.345566D+01 -0.299936D+00 -0.499167D+01  0.143303D+02 -0.377724D+01
               156           157           158           159           160 
      1   0.143303D+02 -0.166914D+02 -0.354760D+01 -0.726286D+01  0.315060D+01
      2  -0.377724D+01 -0.354760D+01 -0.291495D+02  0.358128D+01 -0.666791D+00
      3   0.125791D+02 -0.726286D+01  0.358128D+01 -0.604687D+01  0.256845D+01
               161           162           163           164           165 
      1  -0.666791D+00  0.256845D+01  0.361392D+02  0.207595D+02 -0.229059D+01
      2   0.251653D+01 -0.597531D+01  0.207595D+02  0.386200D+02 -0.227222D+01
      3  -0.597531D+01 -0.400910D+00 -0.229059D+01 -0.227222D+01  0.722908D+00
               166           167           168           169           170 
      1  -0.201113D+02 -0.191081D+02  0.247345D+00 -0.499029D+01 -0.471448D+01
      2  -0.191081D+02 -0.575062D+02 -0.116125D+01 -0.471448D+01 -0.185989D+02
      3   0.247345D+00 -0.116125D+01 -0.592651D+00  0.175522D+00 -0.315365D+00
               171           172           173           174           175 
      1   0.175522D+00 -0.319604D+02 -0.202846D+02  0.325087D+01  0.257707D+02
      2  -0.315365D+00 -0.202846D+02 -0.366810D+02  0.281059D+01  0.247422D+02
      3  -0.413695D+00  0.325087D+01  0.281059D+01  0.418254D+00 -0.666372D+00
               176           177           178           179           180 
      1   0.247422D+02 -0.666372D+00  0.496705D+01  0.511827D+01 -0.180971D+01
      2   0.726537D+02 -0.170316D+01  0.511827D+01  0.168979D+02  0.132161D+01
      3  -0.170316D+01  0.296810D+00 -0.180971D+01  0.132161D+01  0.864327D+00
               181           182           183           184           185 
      1   0.146743D+02  0.100777D+02 -0.128711D+01  0.280035D+02  0.157344D+01
      2   0.100777D+02  0.156912D+02 -0.277409D+01  0.157344D+01  0.367643D+02
      3  -0.128711D+01 -0.277409D+01 -0.762433D+00  0.346639D+01 -0.658657D+01
               186           187           188           189           190 
      1   0.346639D+01  0.118778D+02  0.872291D+00 -0.328726D+01 -0.613842D+01
      2  -0.658657D+01  0.872291D+00  0.955083D+01  0.251289D+01 -0.488262D+01
      3   0.320327D+01 -0.328726D+01  0.251289D+01  0.577167D+00  0.235070D+01
               191           192           193           194           195 
      1  -0.488262D+01  0.235070D+01 -0.289181D+02  0.541163D+01 -0.801055D+00
      2   0.295139D+01 -0.193680D+01  0.541163D+01 -0.503891D+02  0.820352D+01
      3  -0.193680D+01 -0.976339D+00 -0.801055D+00  0.820352D+01 -0.235180D+01
               196           197           198           199           200 
      1  -0.609901D+01  0.243329D+01 -0.519367D+01 -0.161821D+02 -0.123539D+02
      2   0.243329D+01 -0.105139D+02  0.193001D+00 -0.123539D+02 -0.120046D+02
      3  -0.519367D+01  0.193001D+00 -0.247413D+01 -0.356436D+00  0.206466D+01
               201           202           203           204           205 
      1  -0.356436D+00 -0.424936D+02 -0.112382D+02  0.110200D+02 -0.196404D+02
      2   0.206466D+01 -0.112382D+02 -0.139881D+02  0.662369D+00 -0.408730D+01
      3  -0.139625D-01  0.110200D+02  0.662369D+00 -0.222553D+01  0.353557D+01
               206           207           208           209           210 
      1  -0.408730D+01  0.353557D+01 -0.329504D+02 -0.180365D+02  0.588053D+01
      2  -0.844534D+01  0.129151D+00 -0.180365D+02 -0.496674D+02 -0.840007D-01
      3   0.129151D+00 -0.194777D+01  0.588053D+01 -0.840007D-01 -0.506943D+01
               211           212           213           214           215 
      1  -0.165031D+02 -0.191482D+02  0.275567D+01 -0.274694D+01 -0.336464D+01
      2  -0.191482D+02 -0.469664D+02  0.535732D+00 -0.336464D+01 -0.120072D+02
      3   0.275567D+01  0.535732D+00 -0.101429D+01 -0.466359D+01  0.190775D+01
               216           217           218           219           220 
      1  -0.466359D+01  0.480951D+02  0.179713D+02 -0.108191D+02 -0.534729D+01
      2   0.190775D+01  0.179713D+02  0.420694D+02 -0.825278D+00 -0.429834D+00
      3   0.269020D+01 -0.108191D+02 -0.825278D+00  0.538779D+01  0.241394D+01
               221           222           223           224           225 
      1  -0.429834D+00  0.241394D+01 -0.407101D+01 -0.426400D+00  0.324852D+01
      2   0.138659D+02 -0.135429D+01 -0.426400D+00  0.306554D+00  0.614494D+01
      3  -0.135429D+01  0.434913D+00  0.324852D+01  0.614494D+01  0.185111D+01
               226           227           228           229           230 
      1  -0.102822D+02  0.213615D+01  0.519108D+01  0.483378D+02  0.153307D+02
      2   0.213615D+01  0.504051D+01 -0.680225D-01  0.153307D+02  0.175657D+02
      3   0.519108D+01 -0.680225D-01 -0.183633D+01 -0.124568D+02 -0.187631D+01
               231           232           233           234           235 
      1  -0.124568D+02  0.172435D+02  0.474012D+01 -0.493636D+01 -0.524085D+01
      2  -0.187631D+01  0.474012D+01  0.424133D+01  0.984908D+00 -0.744377D+01
      3   0.262919D+01 -0.493636D+01  0.984908D+00  0.252492D+01 -0.956329D+00
               236           237           238           239           240 
      1  -0.744377D+01 -0.956329D+00  0.488658D+01  0.413452D+01 -0.421669D+00
      2  -0.109715D+02  0.120648D+01  0.413452D+01  0.495915D+01 -0.268707D+01
      3   0.120648D+01  0.108274D+00 -0.421669D+00 -0.268707D+01  0.873930D+00
               241           242           243           244           245 
      1   0.488304D+01  0.362284D+01  0.165248D+01  0.162077D+02  0.595142D+01
      2   0.362284D+01  0.113739D+01  0.232687D+01  0.595142D+01  0.128797D+02
      3   0.165248D+01  0.232687D+01  0.232087D+01 -0.234598D+01  0.145676D+00
               246           247           248           249           250 
      1  -0.234598D+01  0.789148D+01 -0.441992D+01 -0.653572D+01  0.129610D+01
      2   0.145676D+00 -0.441992D+01 -0.423551D+01 -0.342149D+00 -0.484264D+01
      3   0.346768D+01 -0.653572D+01 -0.342149D+00  0.161982D+01  0.250983D+01
               251           252           253           254           255 
      1  -0.484264D+01  0.250983D+01  0.234408D+02  0.571581D+01 -0.651626D+01
      2  -0.647693D+01  0.245592D+01  0.571581D+01  0.641915D+01 -0.243654D+00
      3   0.245592D+01 -0.152679D+01 -0.651626D+01 -0.243654D+00  0.220729D+01
               256           257           258           259           260 
      1  -0.778831D+01  0.153567D+01  0.215576D+01 -0.751626D+01 -0.176443D+01
      2   0.153567D+01  0.362970D+01 -0.473530D+00 -0.176443D+01  0.150825D+00
      3   0.215576D+01 -0.473530D+00  0.810306D+00  0.454628D+01  0.120700D+01
               261           262           263           264           265 
      1   0.454628D+01 -0.273641D+02 -0.173075D+01  0.963314D+01 -0.189313D+01
      2   0.120700D+01 -0.173075D+01 -0.543983D+01 -0.128982D+01 -0.606688D+00
      3  -0.228687D+01  0.963314D+01 -0.128982D+01 -0.422122D+01  0.192309D+01
               266           267           268           269           270 
      1  -0.606688D+00  0.192309D+01  0.317577D+01  0.128944D+01 -0.115513D+01
      2  -0.208832D+01  0.120202D+01  0.128944D+01  0.487975D+01 -0.254964D+01
      3   0.120202D+01 -0.158587D+01 -0.115513D+01 -0.254964D+01 -0.769978D+00
               271           272           273           274           275 
      1   0.329337D+01 -0.456438D+01  0.801551D-02 -0.300691D+01  0.485605D+01
      2  -0.456438D+01  0.690184D+01 -0.138163D+00  0.485605D+01 -0.959698D+01
      3   0.801551D-02 -0.138163D+00  0.684257D+00  0.830528D+00 -0.113045D+01
               276           277           278           279           280 
      1   0.830528D+00  0.883334D+00 -0.638081D-02  0.812900D+00 -0.683583D+00
      2  -0.113045D+01 -0.638081D-02 -0.150775D+01 -0.688256D+00 -0.668041D+00
      3  -0.224516D+00  0.812900D+00 -0.688256D+00 -0.302120D-01 -0.101123D+01
               281           282           283           284           285 
      1  -0.668041D+00 -0.101123D+01 -0.341833D-01 -0.128072D+01 -0.267370D+00
      2  -0.199806D+01 -0.703721D+00 -0.128072D+01 -0.106118D+02 -0.500990D+01
      3  -0.703721D+00 -0.130763D+01 -0.267370D+00 -0.500990D+01 -0.305917D+01
               286           287           288           289           290 
      1  -0.957302D+00 -0.126008D+01 -0.728437D+00 -0.126894D+02 -0.360573D+01
      2  -0.126008D+01 -0.551968D+01 -0.369020D+01 -0.360573D+01 -0.791679D+00
      3  -0.728437D+00 -0.369020D+01 -0.205073D+01 -0.523370D+01 -0.132378D+01
               291           292           293           294           295 
      1  -0.523370D+01 -0.167320D+01 -0.215211D+01 -0.113353D+01 -0.507065D+01
      2  -0.132378D+01 -0.215211D+01  0.298129D+00 -0.942952D+00 -0.134097D+01
      3  -0.289865D+01 -0.113353D+01 -0.942952D+00 -0.975467D+00 -0.221047D+01
               296           297           298           299           300 
      1  -0.134097D+01 -0.221047D+01 -0.156703D+01 -0.237752D+01 -0.114128D+01
      2  -0.139682D+01 -0.106723D+01 -0.237752D+01 -0.152113D+01 -0.180077D+01
      3  -0.106723D+01 -0.108048D+01 -0.114128D+01 -0.180077D+01 -0.101381D+01
               301           302           303           304           305 
      1  -0.226451D+01 -0.389337D+01 -0.214915D+01 -0.108993D+01 -0.303106D+01
      2  -0.389337D+01 -0.102670D+02 -0.504314D+01 -0.303106D+01 -0.483605D+01
      3  -0.214915D+01 -0.504314D+01 -0.305413D+01 -0.130894D+01 -0.272385D+01
               306           307           308           309           310 
      1  -0.130894D+01 -0.943974D+01  0.618801D+01  0.312903D+00  0.676853D+01
      2  -0.272385D+01  0.618801D+01 -0.326528D+01 -0.704757D-01 -0.541089D+01
      3  -0.215644D+01  0.312903D+00 -0.704757D-01 -0.562431D+00 -0.651805D+00
               311           312           313           314           315 
      1  -0.541089D+01 -0.651805D+00  0.645657D+00 -0.994889D+00 -0.464426D+00
      2   0.585894D+01  0.645106D+00 -0.994889D+00  0.114083D+01 -0.199058D+00
      3   0.645106D+00  0.389049D+00 -0.464426D+00 -0.199058D+00  0.257567D+00
               316           317           318           319           320 
      1  -0.162067D+02 -0.790992D+00 -0.345359D+01 -0.212277D+01 -0.144915D+01
      2  -0.790992D+00  0.778065D-01 -0.217486D+00 -0.144915D+01 -0.158935D+01
      3  -0.345359D+01 -0.217486D+00 -0.139004D+01 -0.923917D+00 -0.432449D+00
               321           322           323           324           325 
      1  -0.923917D+00 -0.442794D+01 -0.440450D+00 -0.111858D+01 -0.670885D+01
      2  -0.432449D+00 -0.440450D+00  0.760825D+00  0.331042D+00  0.509218D+01
      3  -0.297592D+00 -0.111858D+01  0.331042D+00 -0.633875D+00  0.156636D+01
               326           327           328           329           330 
      1   0.509218D+01  0.156636D+01  0.353742D+01 -0.563975D+01 -0.152360D+01
      2  -0.591336D+01 -0.137671D+01 -0.563975D+01  0.675354D+01  0.172181D+01
      3  -0.137671D+01 -0.824690D+00 -0.152360D+01  0.172181D+01  0.106134D+01
               331           332           333           334           335 
      1   0.117580D+01 -0.195435D+01 -0.997708D-01  0.110099D+01  0.193999D+01
      2  -0.195435D+01  0.106382D+01  0.111194D+01  0.193999D+01  0.261071D+01
      3  -0.997708D-01  0.111194D+01  0.150606D+00  0.190835D+00  0.436798D+00
               336           337           338           339           340 
      1   0.190835D+00  0.311110D+00  0.284537D+00  0.203544D+00 -0.540341D+00
      2   0.436798D+00  0.284537D+00  0.145614D+02  0.402092D+01 -0.231726D+00
      3   0.239297D+00  0.203544D+00  0.402092D+01  0.167600D+01 -0.169149D+00
               341           342           343           344           345 
      1  -0.231726D+00 -0.169149D+00  0.152654D+01  0.197025D+01  0.378457D+00
      2   0.492583D+01  0.127160D+01  0.197025D+01  0.284087D+01  0.599278D+00
      3   0.127160D+01  0.887763D+00  0.378457D+00  0.599278D+00  0.407818D+00
               346           347           348           349           350 
      1   0.132193D+01  0.367615D+01  0.118602D+01  0.761684D+00  0.101429D+01
      2   0.367615D+01  0.119308D+02  0.312818D+01  0.101429D+01  0.394531D+01
      3   0.118602D+01  0.312818D+01  0.144844D+01  0.237584D+00  0.147692D+01
               351           352           353           354           355 
      1   0.237584D+00  0.106423D+02  0.527622D+01 -0.494357D+00  0.351240D+01
      2   0.147692D+01  0.527622D+01  0.322449D+01 -0.204285D+00  0.270301D+01
      3   0.759662D+00 -0.494357D+00 -0.204285D+00  0.688235D+00  0.341510D+00
               356           357           358           359           360 
      1   0.270301D+01  0.341510D+00  0.163176D+00  0.469239D+00  0.101716D+00
      2   0.234956D+01  0.186669D+00  0.469239D+00  0.796905D+00  0.169146D+00
      3   0.186669D+00  0.262335D+00  0.101716D+00  0.169146D+00  0.346986D+00
               361           362           363           364           365 
      1   0.104027D+02 -0.273170D+01 -0.190452D+01  0.293202D+01  0.617466D+01
      2  -0.273170D+01  0.833540D+00  0.391825D+00  0.617466D+01 -0.240155D+01
      3  -0.190452D+01  0.391825D+00  0.174534D+01 -0.703244D+00 -0.250211D+01
               366           367           368           369           370 
      1  -0.703244D+00  0.621998D+00  0.124343D+01  0.568663D+01 -0.148563D+01
      2  -0.250211D+01  0.124343D+01 -0.490507D+00 -0.134996D+01 -0.814471D+00
      3  -0.915297D+00  0.568663D+01 -0.134996D+01 -0.700720D+01  0.278412D+00
               371           372           373           374           375 
      1  -0.814471D+00  0.278412D+00 -0.862690D+00 -0.591144D+00  0.476702D+00
      2  -0.168330D+01  0.394491D+00 -0.591144D+00 -0.258347D+01 -0.104262D+00
      3   0.394491D+00 -0.308930D+00  0.476702D+00 -0.104262D+00 -0.102084D+01
               376           377           378 
      1  -0.167253D+00 -0.380241D+00  0.134619D+00
      2  -0.380241D+00 -0.930824D+00 -0.408495D+00
      3   0.134619D+00 -0.408495D+00 -0.784435D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.709757D+01 -0.110918D+02  0.200003D+01 -0.653701D+01  0.133024D+02
      2   0.628578D+01 -0.781705D+01  0.304431D+01 -0.420622D+01  0.774393D+01
      3  -0.515726D+01  0.520684D+00  0.113378D+01  0.808722D+01 -0.710044D+01
                 6             7             8             9            10 
      1  -0.208966D+01  0.789168D-01  0.252998D+01  0.417717D+01 -0.173546D+02
      2  -0.616949D+00  0.613239D+00  0.364248D+00  0.262166D+01  0.722443D+01
      3   0.263023D+01 -0.313425D+01 -0.492889D+01 -0.401127D+01  0.352454D+02
                11            12            13            14            15 
      1   0.142112D+02 -0.405947D+02 -0.115278D+02  0.193786D+02 -0.147135D+02
      2   0.990378D+01 -0.814190D+01  0.343262D+01  0.722959D+01  0.417696D+01
      3  -0.310541D+02  0.530250D+02  0.279817D+02 -0.363299D+02  0.171033D+02
                16            17            18            19            20 
      1  -0.197689D+02 -0.456370D+01 -0.574833D+01  0.164133D+02 -0.567079D+01
      2  -0.116873D+02  0.111128D+02  0.963036D+00  0.255646D+01 -0.882674D+01
      3   0.314749D+02 -0.246271D+02  0.319529D+02 -0.306054D+02  0.274169D+02
                21            22            23            24            25 
      1   0.216348D+02  0.168723D+02  0.118141D+02  0.288374D+01  0.125219D+02
      2   0.786603D+01 -0.265779D+01 -0.289371D+01 -0.598861D+01 -0.498189D+01
      3  -0.382081D+02 -0.204309D+02 -0.366694D+02 -0.101718D+02 -0.330080D+02
                26            27            28            29            30 
      1  -0.629479D+01  0.302698D+02  0.308032D+01 -0.233201D+01  0.275255D+01
      2   0.331808D+01  0.106382D+02  0.314747D+00 -0.207290D+01  0.493887D-01
      3   0.280335D+02 -0.498204D+02 -0.438068D+01  0.374520D+01 -0.582493D+01
                31            32            33            34            35 
      1   0.435342D+01  0.131138D+02  0.176654D+02  0.770174D+01  0.161484D+02
      2   0.381879D-02  0.164029D+01  0.765239D+01 -0.340934D+01  0.238356D+01
      3  -0.210929D+01 -0.805885D+01 -0.162654D+02 -0.337407D+01 -0.122427D+02
                36            37            38            39            40 
      1   0.193655D+02  0.211040D+02  0.797406D+01  0.955394D+01  0.124469D+02
      2   0.229689D+01 -0.717724D+01  0.870596D+00 -0.446115D+00 -0.122270D+02
      3  -0.128111D+02 -0.388989D+02 -0.121910D+02 -0.213367D+02 -0.377844D+02
                41            42            43            44            45 
      1  -0.180517D+02  0.781472D+01  0.146172D+02 -0.987563D+01  0.362866D+02
      2  -0.526167D+01 -0.182089D+01  0.204159D+01 -0.921550D+01  0.150113D+02
      3   0.391328D+02 -0.203653D+02 -0.350635D+02  0.573980D+02 -0.378597D+02
                46            47            48            49            50 
      1   0.994491D+01  0.491655D+00  0.903101D+01  0.250537D+01  0.564837D+00
      2  -0.975332D+01  0.629032D+00 -0.148073D+01  0.425386D+01 -0.184608D+01
      3  -0.189387D+02  0.448251D+00 -0.143854D+02  0.625452D+00 -0.671756D+00
                51            52            53            54            55 
      1   0.454009D+01  0.116457D+02  0.181189D+01  0.107272D+02 -0.241169D+02
      2   0.354793D+01 -0.804401D+01  0.100843D+01 -0.289039D+01 -0.113364D+02
      3  -0.295269D+01 -0.183954D+02 -0.266391D+01 -0.162603D+02  0.159221D+02
                56            57            58            59            60 
      1   0.238329D+02 -0.188718D+02 -0.270707D+02  0.102325D+02 -0.281164D+02
      2   0.203120D+02  0.295682D+01  0.578790D+00  0.137609D+02 -0.184026D+01
      3  -0.390035D+02  0.195372D+02  0.373453D+02 -0.281812D+02  0.357159D+02
                61            62            63            64            65 
      1  -0.331275D+02  0.381342D+02 -0.346836D+02 -0.550645D+01  0.512262D+01
      2  -0.403170D+01  0.142137D+02 -0.206268D+02 -0.821028D+01  0.613862D+01
      3   0.737723D+02 -0.748111D+02  0.532956D+02 -0.101365D+02  0.369101D+01
                66            67            68            69            70 
      1   0.241568D+00  0.750436D+01 -0.879935D+01 -0.246120D+01  0.783631D+00
      2   0.131814D+00  0.937979D+01 -0.940215D+01 -0.178770D+01 -0.131313D+01
      3  -0.256484D+00  0.876216D+01 -0.462648D+01  0.459388D+00 -0.371273D+00
                71            72            73            74            75 
      1  -0.238936D+01 -0.162558D+01  0.536792D+02 -0.352867D+02  0.572480D+02
      2  -0.627723D+00 -0.139956D+01  0.193675D+02 -0.125012D+02  0.202797D+02
      3   0.263852D+01  0.739901D+00 -0.105353D+03  0.864540D+02 -0.994024D+02
                76            77            78            79            80 
      1  -0.903625D+02 -0.223405D+02 -0.111094D+03 -0.417840D+01 -0.240293D+02
      2  -0.741511D+01 -0.284056D+02 -0.141368D+02 -0.718809D+01 -0.171374D+02
      3   0.163675D+03 -0.355517D+02  0.204672D+03  0.298781D+02  0.345376D+02
                81            82            83            84            85 
      1  -0.176282D+02  0.586543D+02 -0.227633D+02  0.632950D+02  0.213464D+02
      2  -0.143608D+02  0.279872D+02 -0.911340D+01  0.208640D+02  0.989925D+01
      3   0.436454D+02 -0.186376D+03  0.186560D+03 -0.119464D+03 -0.677774D+02
                86            87            88            89            90 
      1   0.231016D+02  0.293228D+02  0.735093D+02 -0.219190D+02  0.859669D+02
      2   0.183955D+02  0.115920D+02  0.156799D+01  0.522288D+01  0.954999D+01
      3   0.767914D+01 -0.766080D+02 -0.119434D+03  0.117460D+03 -0.156513D+03
                91            92            93            94            95 
      1  -0.571135D+02 -0.102743D+02 -0.653252D+02  0.365580D+02  0.177386D+01
      2   0.234457D+02 -0.228633D+02  0.146703D+02  0.749167D+00  0.611089D+01
      3   0.112078D+03 -0.552464D+02  0.113349D+03 -0.812115D+02  0.259350D+02
                96            97            98            99           100 
      1   0.451049D+02 -0.157286D+00 -0.135928D+02 -0.357332D+01  0.168304D+02
      2  -0.402953D+01  0.303459D+01 -0.995172D+01 -0.643355D+01 -0.539852D+01
      3  -0.952773D+02  0.963907D+00  0.409289D+02  0.529545D+01 -0.369732D+02
               101           102           103           104           105 
      1   0.122010D+02  0.234534D+02  0.766906D+02 -0.514804D+02  0.420404D+02
      2   0.154215D+02  0.172421D+01  0.166009D+02 -0.427789D+01  0.540770D+01
      3  -0.572602D+02 -0.464861D+02 -0.203862D+03  0.285439D+03 -0.105389D+03
               106           107           108           109           110 
      1   0.424148D+02 -0.755385D+01  0.341639D+02 -0.239522D+02 -0.285596D+02
      2  -0.155217D+02 -0.101227D+01 -0.149557D+02  0.258890D+01 -0.270454D+02
      3  -0.921781D+02  0.171338D+03 -0.741446D+02  0.705553D+02  0.639344D+02
               111           112           113           114           115 
      1  -0.268782D+02 -0.113579D+03  0.972736D+02 -0.707129D+02 -0.546973D+02
      2  -0.670800D+01 -0.266164D+02  0.369633D+02 -0.139191D+02 -0.310629D+02
      3   0.680248D+02  0.277046D+03 -0.461243D+03  0.179706D+03  0.132042D+03
               116           117           118           119           120 
      1   0.401983D+02 -0.442338D+02 -0.793689D+02  0.760940D+02 -0.584468D+02
      2   0.185217D+02 -0.138410D+02 -0.202139D+02  0.262061D+02 -0.115353D+02
      3  -0.156926D+03  0.940775D+02  0.230145D+03 -0.346423D+03  0.151890D+03
               121           122           123           124           125 
      1   0.346613D+02 -0.477145D+02  0.195984D+02 -0.428849D+02  0.302738D+02
      2   0.161334D+02 -0.262094D+02  0.855679D+01 -0.227209D+02  0.207751D+02
      3  -0.680845D+02  0.188089D+03 -0.470855D+02  0.886391D+02 -0.146283D+03
               126           127           128           129           130 
      1  -0.602753D+02  0.593296D+02 -0.969621D+02  0.249722D+02 -0.351306D+01
      2  -0.152781D+02  0.119801D+02 -0.487640D+02  0.806409D+01 -0.159791D+02
      3   0.743833D+02 -0.678961D+02  0.473690D+03 -0.522277D+02  0.107789D+03
               131           132           133           134           135 
      1  -0.217991D+02  0.244076D+01  0.790193D+01 -0.115851D+02 -0.557806D+01
      2  -0.209420D+02 -0.163386D+01 -0.196978D+02 -0.196445D+02 -0.605697D+01
      3   0.928104D+02  0.194088D+02  0.429887D+02  0.177122D+03 -0.236259D+01
               136           137           138           139           140 
      1  -0.647659D+02  0.127135D+03 -0.321156D+02  0.997413D+01  0.195932D+02
      2  -0.130853D+02  0.898450D+02 -0.135476D+02  0.273228D+02  0.249103D+02
      3   0.727706D+02 -0.624972D+03  0.838795D+02 -0.970577D+02 -0.125291D+03
               141           142           143           144           145 
      1  -0.408315D+00 -0.146025D+02  0.734425D+02 -0.649095D+01 -0.218755D+02
      2   0.560269D+01  0.175916D+01  0.384309D+02 -0.997326D+00 -0.108121D+02
      3  -0.158780D+02 -0.196351D+02 -0.212167D+03  0.148072D+02  0.542070D+02
               146           147           148           149           150 
      1   0.791422D+01 -0.225439D+02  0.396722D+02 -0.850389D+02  0.383923D+02
      2   0.152623D+02  0.489337D+01 -0.123476D+02 -0.621554D+02 -0.250764D+01
      3  -0.117252D+03  0.328857D+02  0.785563D+00  0.348738D+03 -0.559688D+02
               151           152           153           154           155 
      1  -0.148153D+02  0.113924D+02 -0.112395D+02  0.616962D+02 -0.268172D+02
      2   0.104038D+02 -0.896982D+01  0.107632D+02  0.215311D+02 -0.269222D+02
      3   0.903763D+01  0.597114D+02  0.109967D+02 -0.129769D+03  0.174534D+03
               156           157           158           159           160 
      1   0.522136D+02 -0.266168D+02  0.418956D+02 -0.288674D+02  0.729586D+01
      2   0.912119D+01 -0.220091D+00  0.179471D+02  0.147679D+01 -0.616251D+01
      3  -0.104495D+03  0.334664D+02 -0.195636D+03  0.491237D+02 -0.546270D+02
               161           162           163           164           165 
      1  -0.821658D+01  0.100974D+02 -0.110042D+02 -0.597369D+02  0.452191D+01
      2   0.338230D+02  0.106603D+02 -0.138582D+02 -0.215356D+02  0.322248D+00
      3   0.209593D+02 -0.655118D+02  0.160468D+03  0.232033D+03 -0.106482D+02
               166           167           168           169           170 
      1  -0.542764D+01  0.497485D+02 -0.195614D+01 -0.103792D+02  0.458029D+02
      2   0.246392D+02  0.318254D+02  0.213959D+01 -0.197913D+02  0.160100D+02
      3  -0.158327D+03 -0.292751D+03 -0.114356D+02 -0.621173D+01 -0.114690D+03
               171           172           173           174           175 
      1  -0.874383D+01  0.292791D+02  0.658277D+02 -0.131532D+01  0.528979D+01
      2   0.185607D+01  0.497837D+02  0.375580D+02 -0.168545D+01 -0.175134D+02
      3   0.431365D+01 -0.267132D+03 -0.293152D+03  0.196916D+02  0.199756D+03
               176           177           178           179           180 
      1  -0.911995D+02  0.119358D+02  0.158953D+02 -0.249617D+01  0.294807D+01
      2  -0.711383D+02  0.195720D+01 -0.129167D+02 -0.327768D+02 -0.524250D+01
      3   0.514419D+03 -0.152584D+02  0.144596D+02  0.130952D+03 -0.308474D+01
               181           182           183           184           185 
      1  -0.246543D+02 -0.388534D+02  0.259181D+01  0.357034D+01 -0.634651D+02
      2  -0.318064D+02 -0.145502D+02  0.478346D+01 -0.199731D+02 -0.292416D+02
      3   0.156192D+03  0.143395D+03 -0.206068D+02  0.847276D+02  0.282359D+03
               186           187           188           189           190 
      1   0.392105D+01  0.187274D+02 -0.102497D+02 -0.155889D+01  0.126121D+02
      2  -0.578783D+01 -0.940404D+00 -0.488720D+02 -0.721958D+01  0.634946D+01
      3  -0.406825D+02  0.312185D+02  0.827903D+02  0.102247D+02 -0.623774D+02
               191           192           193           194           195 
      1  -0.115237D+02  0.499845D+01 -0.377965D+02  0.770976D+02 -0.147812D+02
      2  -0.717556D+01  0.106390D+02 -0.145817D+02  0.561358D+02 -0.451024D+01
      3   0.344289D+02 -0.162623D+02  0.130839D+01 -0.397163D+03  0.671727D+02
               196           197           198           199           200 
      1  -0.106253D+01  0.460027D+02  0.389068D+01  0.215589D+01  0.214906D+02
      2   0.203015D+02  0.265749D+02  0.101532D+02 -0.883275D+01 -0.333904D+01
      3  -0.688611D+01 -0.704364D+02 -0.787048D+01 -0.425227D+02 -0.600678D+02
               201           202           203           204           205 
      1   0.126773D+01  0.107726D+02  0.266108D+02 -0.495800D+01 -0.605440D-01
      2  -0.146127D+01  0.219811D+02  0.441337D+01 -0.391001D+01 -0.572994D+01
      3  -0.841228D-02 -0.241295D+03 -0.970294D+02  0.617397D+02 -0.106429D+03
               206           207           208           209           210 
      1   0.272659D+02  0.248774D+01  0.264291D+01  0.621354D+02  0.735063D+01
      2  -0.165879D+01  0.410795D+01  0.316683D+02  0.495279D+02  0.163683D+01
      3  -0.813843D+02  0.256987D+02 -0.253056D+03 -0.345017D+03  0.412123D+02
               211           212           213           214           215 
      1  -0.120580D+02  0.551357D+02 -0.796747D+01  0.316354D+02  0.223787D+02
      2   0.171621D+02  0.589528D+02 -0.284609D+01  0.909253D+00 -0.268694D+01
      3  -0.143635D+03 -0.360930D+03  0.239631D+02 -0.346413D+02 -0.797476D+02
               216           217           218           219           220 
      1  -0.827629D+01 -0.465743D+01 -0.625970D+02 -0.142958D+01  0.785588D+01
      2  -0.127414D+01 -0.465281D+02 -0.324277D+02  0.673878D+01  0.114110D+02
      3  -0.179427D+02  0.364921D+03  0.275909D+03 -0.801775D+02 -0.404916D+02
               221           222           223           224           225 
      1   0.481643D+01 -0.817496D+01 -0.120207D+02 -0.242006D+02 -0.121199D+02
      2  -0.105842D+02 -0.431576D+01 -0.222315D+02 -0.198267D+02 -0.806059D+01
      3   0.738802D+02  0.154533D+02 -0.352150D+02  0.150977D+02  0.494602D+02
               226           227           228           229           230 
      1   0.806407D+00 -0.708372D+01 -0.120259D+01  0.141094D+00 -0.434454D+02
      2  -0.103178D+01 -0.230460D+02 -0.341793D+01 -0.406656D+02 -0.990037D+01
      3  -0.671406D+02  0.103579D+03  0.243815D+02  0.375918D+03  0.154597D+03
               231           232           233           234           235 
      1   0.974429D+01 -0.620796D+01 -0.491458D+01 -0.218180D+01 -0.103116D+01
      2   0.120662D+02 -0.366441D+02 -0.996976D+01  0.878300D+01  0.109622D+02
      3  -0.103921D+03  0.124423D+03  0.426769D+02 -0.339290D+02 -0.600530D+02
               236           237           238           239           240 
      1   0.119713D+02 -0.506216D-04 -0.763967D+00  0.636931D+00 -0.399295D+01
      2   0.264528D+02 -0.408978D+01  0.249028D+00 -0.558330D+01  0.242151D+01
      3  -0.133379D+03  0.133368D+02  0.405829D+02  0.193718D+02 -0.616074D+01
               241           242           243           244           245 
      1  -0.117921D+02 -0.114945D+02 -0.843674D+01 -0.218182D+01 -0.142912D+02
      2  -0.219852D+02  0.336274D+00  0.121047D+02 -0.861763D+01 -0.137215D+02
      3   0.373971D+02  0.474451D+02 -0.263139D+01  0.923241D+02  0.746772D+02
               246           247           248           249           250 
      1  -0.886997D+01  0.170092D+02  0.411210D+01 -0.203479D+01 -0.142264D+02
      2   0.100998D+02  0.367121D+00  0.221983D+01 -0.501796D+01  0.745405D+01
      3  -0.145365D+02  0.119363D+02 -0.461997D+02 -0.951490D+01 -0.230546D+01
               251           252           253           254           255 
      1   0.395585D+01  0.890177D+01  0.628501D+01  0.570352D+01 -0.615458D+01
      2   0.142540D+02 -0.731537D+01 -0.319442D+02 -0.919373D+01  0.424297D+01
      3  -0.389195D+02  0.224573D+02  0.190941D+03  0.653353D+02 -0.663094D+02
               256           257           258           259           260 
      1   0.570722D+01 -0.964160D+01 -0.504448D+01 -0.113281D+02  0.773778D+01
      2  -0.506930D+01 -0.148851D+01  0.102422D+02 -0.120128D+02 -0.365877D+01
      3  -0.365853D+01  0.241078D+02 -0.158119D+02 -0.354214D+02 -0.203114D+02
               261           262           263           264           265 
      1   0.996819D+01 -0.723624D+01  0.127822D+01  0.484992D+01 -0.552801D+01
      2   0.826376D+01  0.179809D+02  0.134401D+02 -0.150542D+01  0.592105D+01
      3   0.172529D+02 -0.181603D+03 -0.579383D+02  0.594250D+02 -0.852453D+01
               266           267           268           269           270 
      1  -0.367411D+01 -0.415411D+00  0.400044D+01  0.788390D+01  0.369219D+01
      2   0.183819D+01 -0.547080D+01 -0.112117D+02 -0.549738D+01 -0.331803D+01
      3   0.178780D+02  0.140095D+02 -0.471748D+01 -0.949417D+01  0.124965D+02
               271           272           273           274           275 
      1   0.215563D+01 -0.269296D+01  0.540809D+01  0.333997D+01 -0.385923D+01
      2   0.125113D+01 -0.143640D+01  0.279232D+01 -0.535982D+00  0.162027D+01
      3  -0.183564D+02  0.200361D+02 -0.226572D+01  0.172510D+02 -0.244245D+02
               276           277           278           279           280 
      1  -0.195938D+01  0.282500D+01  0.125687D+00  0.164248D+00 -0.497547D+01
      2  -0.926210D+00  0.134229D+01 -0.287261D-01  0.504605D+00 -0.151580D+01
      3  -0.625425D+01 -0.102373D+02  0.323956D+01 -0.666053D+01  0.556171D+01
               281           282           283           284           285 
      1  -0.965016D+00 -0.675520D+01 -0.557833D+00 -0.127227D+02 -0.122543D+02
      2   0.436660D+00 -0.534818D+00 -0.107765D+01  0.161235D+01  0.205338D+01
      3  -0.432801D+01  0.686723D+01 -0.259973D+00 -0.310543D+01 -0.397019D+01
               286           287           288           289           290 
      1  -0.128152D+01 -0.933243D+01 -0.584539D+01 -0.900149D+01 -0.592577D+00
      2  -0.173583D+01  0.292304D+00  0.130475D+01  0.215026D+01  0.593835D+00
      3   0.716559D+01  0.209896D+01 -0.408281D+00  0.119188D+02  0.129907D+01
               291           292           293           294           295 
      1  -0.570732D+01 -0.173330D-01 -0.253157D+01 -0.153634D+01 -0.170447D+01
      2   0.723910D+01  0.395734D+01 -0.155056D+01  0.304269D+01 -0.174461D+01
      3   0.556638D+01 -0.618529D+01  0.116649D+02 -0.160063D+01  0.610410D+01
               296           297           298           299           300 
      1  -0.120287D+01 -0.261168D+00  0.239960D+00 -0.392577D+01 -0.863791D+00
      2   0.137727D+01  0.210824D+01  0.293951D+01  0.178090D+01  0.366261D+01
      3  -0.312825D+01 -0.121228D+01 -0.629301D+01  0.426042D+01 -0.576335D+01
               301           302           303           304           305 
      1  -0.138854D+01 -0.302708D-01 -0.500796D+01  0.162427D+01  0.163870D+01
      2   0.220511D+01  0.135474D+02  0.824901D+01  0.230351D+01  0.203330D+01
      3  -0.328914D+01 -0.298605D+02 -0.133008D+02 -0.758614D+01 -0.775554D+01
               306           307           308           309           310 
      1  -0.296026D+01 -0.383886D+01  0.380030D+00  0.273749D+01  0.408611D+01
      2   0.474791D+01 -0.398016D+01 -0.356716D+00  0.440106D+01  0.424545D+01
      3  -0.557758D+01  0.143161D+02 -0.437461D+01  0.278986D-02 -0.110471D+02
               311           312           313           314           315 
      1  -0.541260D+01 -0.334141D+01 -0.425920D+00  0.111532D+01 -0.382415D+00
      2  -0.732847D+01 -0.400672D+01 -0.639844D+00  0.294765D+01 -0.647409D+00
      3   0.241882D+02  0.302530D+01 -0.291288D+01  0.545819D+01 -0.321510D+01
               316           317           318           319           320 
      1   0.128090D+01  0.134623D+00  0.306547D+00  0.852633D+00  0.361706D+01
      2   0.802414D+01 -0.201279D+00  0.850047D+01  0.427401D+01  0.462235D+01
      3  -0.171772D+02 -0.832426D+00 -0.496442D+01 -0.799504D+01 -0.149237D+02
               321           322           323           324           325 
      1  -0.176581D+00 -0.204814D+00 -0.765924D+00 -0.782496D+00 -0.202204D+01
      2   0.218698D+01 -0.606376D+00 -0.228231D+01  0.162894D+01  0.244862D+01
      3  -0.317228D+01 -0.598714D+01  0.132165D+01  0.211981D+01 -0.162282D+02
               326           327           328           329           330 
      1   0.303359D+01  0.377569D+01  0.444754D+01 -0.116548D+01 -0.492442D+01
      2   0.419586D+00  0.316120D+01  0.194259D+01  0.244287D+00 -0.312032D+01
      3  -0.203339D+01  0.209232D+01 -0.189086D+01 -0.490258D+01 -0.134292D+01
               331           332           333           334           335 
      1  -0.331880D+01 -0.134223D+01 -0.941436D+00 -0.123688D+01 -0.167071D+01
      2  -0.144249D+01  0.149099D+00 -0.121898D+01 -0.286981D+01 -0.290136D+01
      3  -0.160958D+01 -0.783500D+01  0.509883D+01  0.145199D+02  0.150089D+02
               336           337           338           339           340 
      1  -0.107463D+01 -0.123759D+01 -0.945138D+01 -0.853520D+01  0.301513D+01
      2   0.255858D+00 -0.153778D+01 -0.806322D+01 -0.251135D+01  0.151469D+01
      3   0.442222D+00  0.442330D+01  0.298216D+02  0.102159D+02 -0.475466D+01
               341           342           343           344           345 
      1   0.320542D+01 -0.271784D+01 -0.121396D+01 -0.106277D+01 -0.173880D+01
      2  -0.274015D+00 -0.257204D+00  0.958696D+00  0.947395D-01  0.679551D+00
      3   0.539874D+01  0.106028D+00  0.788229D+00  0.169640D+01  0.197019D+01
               346           347           348           349           350 
      1  -0.311721D+01 -0.812900D+01 -0.816110D+01 -0.594955D+00 -0.173516D+01
      2   0.279557D+00  0.385751D+01  0.258347D+01 -0.411870D+00  0.410582D+00
      3   0.335401D+01 -0.215155D+00  0.923322D+00  0.337676D+01 -0.267745D+01
               351           352           353           354           355 
      1  -0.282119D+01 -0.776247D+00 -0.583972D+00 -0.279353D+01 -0.286165D+01
      2   0.445629D+00 -0.153652D+01 -0.539605D+00  0.454338D+01  0.260117D+01
      3  -0.465447D-01  0.326689D+02  0.100505D+02 -0.227390D+01  0.679570D+01
               356           357           358           359           360 
      1  -0.135926D+01 -0.109585D+01  0.140075D+01  0.129605D+00 -0.834300D+00
      2   0.134423D+01  0.119332D+01 -0.142179D+01 -0.128286D+01  0.839536D+00
      3   0.253580D+01  0.262295D+01 -0.466691D+01  0.108051D+01 -0.186489D+00
               361           362           363           364           365 
      1   0.267324D+01 -0.552595D+01 -0.880591D+00 -0.515601D+00  0.103817D+02
      2   0.813967D+01  0.486160D+01  0.135961D+02 -0.360994D+01 -0.598720D+01
      3  -0.111229D+01 -0.408780D+02  0.415548D+01  0.210671D+02  0.437972D+02
               366           367           368           369           370 
      1  -0.598138D+01 -0.958487D+01  0.133033D+02  0.852458D+01 -0.765750D-01
      2  -0.564430D+01 -0.196790D+01 -0.809655D+01 -0.122383D+02 -0.234774D+01
      3  -0.360191D+01  0.183729D+02  0.205401D+02  0.203554D+02  0.136462D+01
               371           372           373           374           375 
      1   0.393256D+01 -0.641722D+00 -0.265075D+00  0.606597D+01 -0.984650D+00
      2  -0.236043D+01 -0.633074D-01 -0.335589D+01 -0.467622D+01  0.200108D+00
      3   0.851358D+00  0.200858D+01  0.935140D+01  0.150475D+02 -0.860742D+00
               376           377           378 
      1   0.145838D+01  0.512546D+01 -0.666152D+00
      2  -0.110981D+01 -0.716563D+00 -0.815830D+00
      3  -0.251174D+01  0.280054D+01  0.328171D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.214628D+01 -0.321448D+01  0.222568D+01  0.185798D+01 -0.706275D+00
      2  -0.211685D+01  0.224540D+01  0.299757D+01  0.183232D+01 -0.155151D+01
      3  -0.294315D-01  0.969085D+00 -0.522325D+01 -0.369030D+01  0.225778D+01
      4   0.286617D+00 -0.951826D+00  0.710065D+00  0.299158D+00 -0.369647D+00
      5  -0.715482D+01  0.723258D+01  0.315660D+01  0.659129D+01 -0.826517D+01
      6   0.341089D+01 -0.486393D+01 -0.944293D+00 -0.264440D+01  0.610967D+01
                 6             7             8             9            10 
      1  -0.331718D+01  0.189235D+01 -0.375371D+01 -0.442480D+00 -0.831806D+01
      2  -0.450013D+01  0.852216D+00 -0.134202D+01 -0.242406D+01  0.129386D+02
      3   0.781731D+01 -0.274456D+01  0.509573D+01  0.286654D+01 -0.462054D+01
      4   0.806510D+00  0.151817D+01  0.636462D+00 -0.116551D+00  0.178467D+02
      5  -0.485597D+01  0.246510D+01 -0.702924D+00 -0.433255D+01 -0.271616D+02
      6   0.361564D+01 -0.812390D+00  0.259332D+01  0.389251D+01  0.106657D+02
                11            12            13            14            15 
      1   0.586875D+01  0.174858D+02 -0.921329D+01  0.323858D+00 -0.765359D+01
      2   0.499838D+01  0.379951D+02  0.151985D+02  0.157146D+00  0.144498D+02
      3  -0.108671D+02 -0.554809D+02 -0.598520D+01 -0.481004D+00 -0.679621D+01
      4   0.151570D+01  0.474580D+01  0.551602D+01  0.156984D+02  0.648200D+01
      5   0.750825D+01  0.443770D+01 -0.158286D+02  0.365890D+01 -0.252161D+01
      6  -0.570912D+01  0.168385D+02  0.129789D+02  0.447443D+01  0.139548D+02
                16            17            18            19            20 
      1  -0.564288D+01 -0.289843D+01  0.369090D+00  0.159869D+02 -0.102451D+02
      2   0.307896D+02 -0.188572D+01  0.288359D+02 -0.116547D+02  0.188735D+01
      3  -0.251468D+02  0.478416D+01 -0.292050D+02 -0.433214D+01  0.835771D+01
      4   0.886545D+01 -0.131789D+01  0.229696D+02 -0.209324D+02  0.803993D+01
      5  -0.136702D+02  0.217231D+02 -0.281009D+02  0.215819D+02 -0.245185D+02
      6   0.226566D+02 -0.128274D+02  0.209401D+02 -0.167335D+02  0.147833D+02
                21            22            23            24            25 
      1   0.163044D+02 -0.140739D+01  0.163486D+02  0.103382D+02  0.149720D+01
      2   0.584561D+01 -0.218943D+02 -0.681947D+01 -0.131514D+02 -0.209182D+02
      3  -0.221500D+02  0.233017D+02 -0.952917D+01  0.281326D+01  0.194210D+02
      4  -0.153881D+02  0.906085D+01 -0.424507D+01 -0.248923D+01 -0.156418D+02
      5   0.562683D-01  0.180593D+02  0.118869D+02  0.219324D+02  0.243180D+02
      6   0.270815D+01  0.239540D+01 -0.103180D+02 -0.105579D+02 -0.217624D+02
                26            27            28            29            30 
      1   0.681768D+01 -0.303380D+02 -0.198023D+01  0.824728D+00 -0.375274D+01
      2   0.120132D+02 -0.495357D+02 -0.822684D+01 -0.160131D+01 -0.110512D+02
      3  -0.188309D+02  0.798737D+02  0.102071D+02  0.776585D+00  0.148039D+02
      4  -0.751303D+00 -0.179524D+02  0.593969D+00  0.299334D+01  0.906760D+00
      5  -0.200614D+02  0.111907D+02  0.699370D+01  0.328462D+01  0.134930D+02
      6   0.584763D+01 -0.488511D+02  0.118397D+01  0.207823D+01 -0.188513D+01
                31            32            33            34            35 
      1  -0.437518D+01 -0.124888D+02 -0.247927D+02 -0.556157D+01 -0.115690D+02
      2  -0.665194D+01 -0.119575D+02 -0.282741D+02 -0.115897D+02 -0.145819D+02
      3   0.110271D+02  0.244464D+02  0.530668D+02  0.171512D+02  0.261509D+02
      4   0.443337D+01  0.682053D+01  0.952735D+01  0.416257D+01  0.522242D+01
      5   0.509301D+01  0.604171D+01  0.992639D+01  0.113589D+02  0.886327D+01
      6   0.701329D+01  0.151672D+02  0.213401D+02  0.726859D+01  0.114475D+02
                36            37            38            39            40 
      1  -0.254828D+02  0.166202D+00  0.986904D+01 -0.105702D+02  0.291010D+02
      2  -0.344124D+02 -0.103400D+02 -0.177554D+02 -0.146989D+02 -0.172396D+02
      3   0.598952D+02  0.101738D+02  0.788641D+01  0.252691D+02 -0.118614D+02
      4   0.104275D+02 -0.364877D+01  0.874285D+01  0.288659D+01 -0.347901D+02
      5   0.193974D+02  0.444195D+00  0.120893D+02  0.264994D+01  0.196045D+02
      6   0.226059D+02  0.404588D+01  0.524033D+00  0.292695D+01 -0.233568D+02
                41            42            43            44            45 
      1  -0.128290D+02  0.156304D+02 -0.253368D+02  0.970185D+01 -0.537271D+02
      2   0.134969D+01  0.167733D+02 -0.233759D+00  0.125441D+01 -0.168439D+02
      3   0.114793D+02 -0.324038D+02  0.255706D+02 -0.109563D+02  0.705709D+02
      4   0.133943D+02 -0.174142D+02 -0.358676D+02  0.259035D+02 -0.283254D+02
      5  -0.234440D+02 -0.618856D+01  0.810229D+01 -0.269580D+02  0.176385D+02
      6   0.197246D+02  0.507098D+01 -0.426830D+02  0.448301D+02 -0.568295D+02
                46            47            48            49            50 
      1   0.251749D+02 -0.216588D+01  0.102331D+02 -0.488968D+01  0.151920D+01
      2  -0.478458D+02  0.809101D+01 -0.393868D+02 -0.200390D+01 -0.261161D+01
      3   0.226709D+02 -0.592513D+01  0.291537D+02  0.689358D+01  0.109240D+01
      4  -0.268946D+02  0.990103D+01 -0.208729D+02  0.993357D+01 -0.370648D+01
      5   0.689151D+02 -0.135866D+02  0.581409D+02 -0.240780D+01  0.686573D+01
      6  -0.274711D+02  0.107995D+02 -0.261231D+02  0.723974D+01 -0.353606D+01
                51            52            53            54            55 
      1  -0.496584D+01  0.139002D+02 -0.105837D+01  0.761183D+01  0.225651D+02
      2  -0.713094D+01 -0.390456D+02  0.302514D+01 -0.375198D+02 -0.740305D+01
      3   0.120968D+02  0.251454D+02 -0.196677D+01  0.299080D+02 -0.151620D+02
      4   0.627717D+01 -0.131034D+02  0.423635D+01 -0.116895D+02  0.166376D+02
      5   0.239499D+01  0.511591D+02 -0.590400D+01  0.488695D+02 -0.942088D+00
      6   0.379824D+01 -0.154346D+02  0.509778D+01 -0.147115D+02  0.169102D+02
                56            57            58            59            60 
      1  -0.291632D+00  0.165469D+02  0.871952D+01 -0.220751D+02  0.207678D+02
      2   0.108034D+01 -0.677899D+01  0.275473D+02  0.111721D+01  0.866991D+01
      3  -0.788705D+00 -0.976791D+01 -0.362668D+02  0.209579D+02 -0.294377D+02
      4  -0.173777D+02  0.172545D+02  0.127978D+02 -0.295333D+01  0.303067D+02
      5   0.136745D+02  0.499480D+01 -0.292828D+02  0.235455D+02 -0.252458D+02
      6  -0.230360D+02  0.114805D+02  0.345608D+02 -0.396701D+02  0.476903D+02
                61            62            63            64            65 
      1  -0.103112D+02  0.176356D+02  0.186034D+02  0.123346D+02 -0.433774D+01
      2   0.326218D+02 -0.236189D+02  0.187532D+02  0.126291D+02 -0.177715D+02
      3  -0.223106D+02  0.598334D+01 -0.373566D+02 -0.249636D+02  0.221092D+02
      4   0.405698D+02 -0.231092D+01  0.203382D+02 -0.487714D+02  0.451326D+02
      5  -0.233212D+02  0.205721D+02 -0.131616D+02  0.158559D+02 -0.140907D+02
      6   0.303583D+02 -0.265495D+01  0.201821D+02 -0.213930D+02  0.230209D+02
                66            67            68            69            70 
      1   0.602441D-01 -0.571075D+01 -0.180442D+01  0.122406D+01  0.232980D+01
      2   0.283245D+01 -0.222278D+02  0.328545D+02 -0.495261D+01 -0.418079D+01
      3  -0.289270D+01  0.279386D+02 -0.310501D+02  0.372855D+01  0.185099D+01
      4  -0.107824D+02  0.471282D+02 -0.507649D+02  0.672522D+01 -0.416520D+00
      5   0.732999D+01 -0.993316D+01  0.102733D+02 -0.445101D+01  0.629372D+01
      6  -0.938356D+01  0.189492D+02 -0.237164D+02  0.693614D+01 -0.524566D+01
                71            72            73            74            75 
      1  -0.217779D+01 -0.280411D+00 -0.327240D+02  0.249760D+01 -0.308355D+02
      2   0.762152D+01  0.257440D+01 -0.215433D+02  0.656783D+01 -0.273450D+02
      3  -0.544373D+01 -0.229399D+01  0.542672D+02 -0.906543D+01  0.581805D+02
      4  -0.348698D+01 -0.573282D+01 -0.472848D+02  0.181497D+02 -0.355625D+02
      5  -0.468203D+01  0.217882D+01  0.220454D+02 -0.186453D+02  0.227660D+02
      6   0.353970D+01 -0.268231D+01 -0.398357D+02  0.755977D+01 -0.356306D+02
                76            77            78            79            80 
      1   0.459682D+02 -0.344286D+02  0.344362D+02 -0.239838D+00 -0.440923D+01
      2   0.423115D+02  0.323469D+02  0.828241D+02  0.107806D+02  0.865255D+01
      3  -0.882796D+02  0.208165D+01 -0.117260D+03 -0.105408D+02 -0.424332D+01
      4   0.493622D+02 -0.341156D+02  0.463248D+02 -0.199506D+00 -0.784604D+01
      5  -0.478463D+02  0.594867D+01 -0.472083D+02 -0.675540D+01 -0.536377D+01
      6   0.597652D+02 -0.148846D+02  0.708365D+02  0.444828D+01  0.111471D+02
                81            82            83            84            85 
      1  -0.395397D+01 -0.702556D+02  0.120764D+03 -0.220567D+02 -0.196804D+02
      2   0.341448D+02  0.392494D+01 -0.102664D+03 -0.321717D+02 -0.105820D+02
      3  -0.301908D+02  0.663306D+02 -0.180996D+02  0.542284D+02  0.302624D+02
      4   0.713701D+00 -0.455708D+02  0.252093D+02 -0.237084D+02 -0.257037D+02
      5  -0.200700D+02  0.169380D+02 -0.145415D+01  0.309614D+02  0.134373D+02
      6   0.101588D+02 -0.245456D+02 -0.657098D+01 -0.530299D+02 -0.105321D+02
                86            87            88            89            90 
      1  -0.135736D+02 -0.390650D+00 -0.567606D+02  0.105273D+03 -0.424551D+02
      2   0.197088D+02 -0.459067D+02  0.452296D+01 -0.113733D+03 -0.184134D+02
      3  -0.613527D+01  0.462974D+02  0.522376D+02  0.846083D+01  0.608685D+02
      4   0.333692D+02 -0.705470D+01 -0.179908D+02  0.148612D+02 -0.297721D+02
      5  -0.151849D+01  0.208214D+02  0.321655D+02 -0.655845D+01  0.273229D+02
      6  -0.164757D+02 -0.120072D+02 -0.475766D+02  0.427114D+02 -0.605092D+02
                91            92            93            94            95 
      1   0.679111D+02 -0.258954D+02  0.450367D+02 -0.129759D+02  0.802531D+01
      2   0.271507D+02  0.148786D+02  0.554609D+02 -0.452180D+02 -0.103037D+02
      3  -0.950618D+02  0.110169D+02 -0.100498D+03  0.581938D+02  0.227839D+01
      4   0.669352D+02 -0.310517D+02  0.522837D+02 -0.315202D+02  0.653861D+01
      5  -0.391567D+02  0.713343D+01 -0.347427D+02  0.305903D+02 -0.983520D+01
      6   0.616603D+02 -0.144105D+02  0.680929D+02 -0.453371D+02  0.550602D+01
                96            97            98            99           100 
      1  -0.117922D+02  0.225963D+02 -0.755383D+01  0.203839D+02 -0.272658D+02
      2  -0.616745D+02 -0.932573D+01  0.341614D+01 -0.349769D+01 -0.233749D+02
      3   0.734667D+02 -0.132706D+02  0.413769D+01 -0.168862D+02  0.506407D+02
      4  -0.395225D+02  0.166182D+02 -0.257190D+02  0.110256D+02 -0.388477D+02
      5   0.391731D+02 -0.120330D+01 -0.514195D+01 -0.245342D+01  0.522543D+01
      6  -0.491185D+02  0.809447D+01 -0.445394D+01  0.858905D+01 -0.312038D+02
               101           102           103           104           105 
      1  -0.318591D+02 -0.216750D+02 -0.129808D+03  0.199906D+03 -0.856342D+02
      2   0.220804D+02 -0.281599D+02  0.540184D+02 -0.154330D+03  0.326778D+02
      3   0.977861D+01  0.498349D+02  0.757892D+02 -0.455757D+02  0.529564D+02
      4   0.355498D+02 -0.301108D+02 -0.533069D+02 -0.802759D+01 -0.449924D+02
      5   0.124967D+02  0.160630D+02  0.796787D+01 -0.453975D+02  0.290611D+01
      6   0.604665D+01 -0.305947D+02 -0.593197D+02  0.220181D+02 -0.346280D+02
               106           107           108           109           110 
      1  -0.869163D+02  0.782965D+02 -0.526456D+02 -0.172845D+02  0.588438D+02
      2   0.205075D+02 -0.509571D+02 -0.732211D+01  0.574696D+02 -0.653077D+02
      3   0.664088D+02 -0.273394D+02  0.599677D+02 -0.401851D+02  0.646396D+01
      4  -0.439133D+02  0.101175D+02 -0.361360D+02  0.523117D+02  0.228243D+02
      5   0.893518D+01 -0.191104D+02  0.180721D+01  0.579902D+01  0.114601D+02
      6  -0.450039D+02  0.124201D+02 -0.410887D+02  0.359600D+02 -0.119885D+02
               111           112           113           114           115 
      1   0.257345D+02  0.154880D+03 -0.229080D+03  0.100667D+03  0.608071D+02
      2   0.122664D+02 -0.633247D+02  0.174707D+03 -0.244336D+02 -0.466845D+01
      3  -0.380008D+02 -0.915553D+02  0.543738D+02 -0.762329D+02 -0.561387D+02
      4   0.422111D+02  0.596846D+02 -0.162663D+02  0.416149D+02  0.401159D+02
      5   0.168727D+01 -0.138611D+02  0.524446D+02 -0.782079D+01 -0.565800D+01
      6   0.252650D+02  0.622330D+02 -0.309948D+02  0.414840D+02  0.446399D+02
               116           117           118           119           120 
      1  -0.634590D+02  0.386539D+02  0.117755D+03 -0.195378D+03  0.657313D+02
      2   0.245360D+02  0.372969D+01 -0.518493D+02  0.188074D+03 -0.881326D+01
      3   0.389230D+02 -0.423836D+02 -0.659056D+02  0.730340D+01 -0.569180D+02
      4  -0.159211D+02  0.429214D+02  0.533578D+02 -0.532304D+02  0.190086D+02
      5   0.371139D+02 -0.673816D+01 -0.251584D+02  0.126665D+02 -0.235130D+02
      6  -0.227195D+01  0.402930D+02  0.308141D+02 -0.455163D+02  0.301016D+02
               121           122           123           124           125 
      1  -0.614879D+02  0.948594D+02 -0.253678D+02  0.599290D+02 -0.643689D+02
      2   0.498317D+02 -0.596522D+02  0.116554D+02 -0.398275D+02  0.515765D+02
      3   0.116562D+02 -0.352072D+02  0.137124D+02 -0.201015D+02  0.127924D+02
      4   0.950923D+01  0.265339D+02 -0.331814D+01  0.182060D+02 -0.454380D+02
      5   0.642293D+01 -0.222004D+02  0.638465D+01 -0.342704D+01  0.231804D+01
      6  -0.142705D+02 -0.802695D+01 -0.164874D+02  0.247685D+02 -0.110730D+02
               126           127           128           129           130 
      1   0.175364D+02 -0.131342D+03  0.163078D+03 -0.525314D+02 -0.595822D+01
      2   0.247099D+01  0.798329D+02 -0.640924D+02  0.344966D+02  0.316955D+01
      3  -0.200073D+02  0.515091D+02 -0.989855D+02  0.180348D+02  0.278867D+01
      4   0.100452D+02 -0.118543D+02 -0.142110D+03 -0.214643D+01 -0.708918D+01
      5  -0.221989D+02 -0.161255D+02 -0.120007D+03  0.336121D+01 -0.213131D+02
      6   0.561388D+02 -0.213137D+02  0.104616D+02 -0.846765D+01  0.157133D+02
               131           132           133           134           135 
      1  -0.814872D+02  0.152100D+02 -0.330460D+02  0.210419D+02 -0.136488D+02
      2   0.988641D+02 -0.257840D+02  0.273610D+02  0.133392D+02  0.505904D+01
      3  -0.173769D+02  0.105740D+02  0.568500D+01 -0.343811D+02  0.858978D+01
      4  -0.671876D+02  0.125163D+02  0.642657D+01 -0.594909D+02  0.310977D+01
      5  -0.521886D+02  0.724046D+01 -0.191852D+02 -0.503109D+02 -0.631052D+01
      6  -0.343128D+01 -0.542434D+01 -0.388493D+00  0.288724D+01  0.168057D+01
               136           137           138           139           140 
      1   0.151328D+03 -0.165515D+03  0.564454D+02 -0.303216D+02  0.731948D+02
      2  -0.798410D+02  0.589613D+02 -0.220998D+02  0.241155D+02 -0.107640D+03
      3  -0.714868D+02  0.106554D+03 -0.343456D+02  0.620604D+01  0.344451D+02
      4  -0.753448D+00  0.131910D+03 -0.865198D+01  0.499866D+02  0.778228D+02
      5   0.161664D+02  0.127777D+03 -0.132937D+02  0.223857D+02  0.597843D+02
      6   0.162053D+02 -0.868772D+01  0.112627D+02  0.173520D+02 -0.453231D+01
               141           142           143           144           145 
      1  -0.616222D+01  0.109709D+02 -0.321943D+02  0.243702D+02  0.358136D+02
      2   0.103518D+02 -0.100600D+02 -0.562280D+01 -0.248016D+02  0.988161D+01
      3  -0.418954D+01 -0.910896D+00  0.378171D+02  0.431411D+00 -0.456952D+02
      4   0.153541D+02  0.600882D+01  0.583355D+02  0.102446D+02  0.661662D+02
      5   0.386322D+01  0.370070D+02  0.618427D+02  0.106445D+02 -0.147130D+02
      6   0.622435D+01  0.177656D+02 -0.231666D+01 -0.335893D+00  0.227903D+02
               146           147           148           149           150 
      1  -0.312955D+02  0.721537D+01 -0.159255D+02  0.210137D+02 -0.371050D+02
      2   0.121287D+02  0.303276D+00 -0.146441D+02  0.633774D+02  0.210918D+02
      3   0.191668D+02 -0.751865D+01  0.305696D+02 -0.843911D+02  0.160132D+02
      4   0.638096D+02  0.290847D+02 -0.682008D+02 -0.133724D+03 -0.395208D+02
      5   0.264738D+02  0.132314D+02 -0.414199D+02 -0.109926D+03 -0.226189D+02
      6   0.988231D+01  0.263074D+02 -0.518267D+02  0.110646D+01 -0.337837D+02
               151           152           153           154           155 
      1  -0.251528D+02 -0.196353D+02  0.473896D+01 -0.477635D+02  0.185201D+02
      2  -0.141324D+02  0.300893D+02 -0.240728D+02 -0.188642D+02  0.567105D+02
      3   0.392852D+02 -0.104539D+02  0.193339D+02  0.666277D+02 -0.752306D+02
      4  -0.405777D+02 -0.288788D+02  0.845610D+01 -0.803755D+02 -0.443744D+02
      5   0.238761D+02 -0.236677D+02  0.289343D+02 -0.155706D+02 -0.716021D+02
      6   0.937682D+01  0.542825D+01  0.101783D+02 -0.583245D+02  0.368981D+01
               156           157           158           159           160 
      1  -0.455848D+02  0.659900D+02 -0.104923D+02  0.430572D+02  0.121334D+00
      2   0.942500D+01 -0.217092D+02 -0.952379D+01 -0.316941D+02 -0.289064D+02
      3   0.361598D+02 -0.442808D+02  0.200161D+02 -0.113631D+02  0.287851D+02
      4  -0.629059D+02  0.819186D+02  0.892225D+02  0.151893D+02 -0.283523D+02
      5  -0.209980D+02  0.231741D+02  0.430302D+02  0.156578D+02  0.132722D+02
      6  -0.472614D+02  0.215241D+02 -0.174250D+02  0.150657D+02 -0.130957D+02
               161           162           163           164           165 
      1  -0.121794D+02 -0.275410D+02 -0.975141D+02 -0.744669D+02  0.170236D+01
      2  -0.167424D+02 -0.128245D+02  0.649415D+02  0.961698D+02 -0.391796D+00
      3   0.289218D+02  0.403654D+02  0.325726D+02 -0.217029D+02 -0.131056D+01
      4  -0.248348D+02 -0.740197D+00  0.733707D+02 -0.205247D+01 -0.145848D+02
      5   0.166548D+02  0.195464D+02 -0.563949D+02 -0.734396D+02  0.307523D+01
      6   0.263877D+02  0.371585D+01 -0.751174D+01  0.320106D+02 -0.150604D+00
               166           167           168           169           170 
      1   0.695436D+02  0.617830D+02 -0.165736D+01  0.265124D+02  0.109391D+02
      2  -0.476550D+02 -0.125531D+03  0.979714D+01 -0.191626D+02 -0.276984D+02
      3  -0.218887D+02  0.637479D+02 -0.813978D+01 -0.734986D+01  0.167593D+02
      4  -0.135988D+02  0.108895D+03 -0.103532D+02  0.123732D+01  0.351780D+02
      5   0.481792D+02  0.105076D+03 -0.997011D+01  0.663366D+01  0.369584D+02
      6  -0.129955D+02 -0.184470D+02  0.376905D-01  0.108185D+01 -0.568490D+01
               171           172           173           174           175 
      1  -0.605620D+01  0.114907D+03  0.251113D+02 -0.927765D+01 -0.588155D+02
      2  -0.164137D+01 -0.674271D+02 -0.459202D+02  0.135365D+02  0.448759D+02
      3   0.769757D+01 -0.474802D+02  0.208090D+02 -0.425880D+01  0.139397D+02
      4   0.944847D+00 -0.888267D+02 -0.138223D+02 -0.691449D+00  0.551958D+01
      5   0.137258D+01  0.532912D+02  0.656411D+02 -0.129447D+02 -0.691142D+02
      6  -0.619840D+00 -0.122894D+02 -0.164397D+02 -0.692360D+00  0.222834D+01
               176           177           178           179           180 
      1  -0.905174D+02 -0.280390D+01 -0.386702D+01 -0.164405D+02 -0.495438D+00
      2   0.172008D+03  0.415349D+01  0.125112D+02  0.402791D+02 -0.358649D+00
      3  -0.814910D+02 -0.134959D+01 -0.864422D+01 -0.238387D+02  0.854087D+00
      4  -0.113294D+03 -0.105952D+01 -0.574174D+01 -0.240455D+02 -0.175855D+02
      5  -0.142542D+03  0.863274D+01  0.115470D+01 -0.503141D+02 -0.878436D+01
      6   0.497651D+02 -0.126502D+01 -0.142458D+02  0.275982D+02 -0.137975D+01
               181           182           183           184           185 
      1  -0.626233D+02  0.106311D+02  0.618979D+01 -0.168624D+03  0.584648D+02
      2   0.289719D+02 -0.134215D+02 -0.741218D+01  0.115340D+03 -0.364287D+02
      3   0.336514D+02  0.279046D+01  0.122239D+01  0.532830D+02 -0.220361D+02
      4   0.626752D+02  0.285850D+02  0.885325D+01  0.588919D+02 -0.273730D+02
      5  -0.320951D+02 -0.188178D+02  0.134688D+02 -0.405088D+02 -0.340837D+02
      6   0.145304D+02 -0.739547D+00 -0.303583D+01  0.242865D+02 -0.670656D+01
               186           187           188           189           190 
      1  -0.219326D+02 -0.830198D+02  0.363732D+02  0.182918D+02  0.582301D+01
      2   0.954281D+01  0.563525D+02 -0.317004D+02 -0.151147D+02 -0.845563D+01
      3   0.123898D+02  0.266674D+02 -0.467276D+01 -0.317711D+01  0.263262D+01
      4   0.334060D+02  0.178828D+02  0.160977D+02 -0.190967D+02 -0.134678D+02
      5  -0.149404D+02  0.340660D+02 -0.594595D+02 -0.127946D+02 -0.143778D+02
      6   0.126302D+02 -0.767364D+01  0.204244D+02 -0.344212D+01 -0.162153D+01
               191           192           193           194           195 
      1   0.524029D+02 -0.303019D+02  0.185857D+03 -0.139980D+03  0.885213D+01
      2  -0.466347D+02  0.166236D+02 -0.110079D+03  0.949962D+02  0.514630D+01
      3  -0.576812D+01  0.136783D+02 -0.757776D+02  0.449841D+02 -0.139984D+02
      4   0.222017D+02  0.304605D+01 -0.881562D+02  0.538257D+02 -0.267837D+02
      5  -0.236214D+01  0.144693D+02 -0.146472D+02  0.605435D+02 -0.683066D+00
      6  -0.156264D+01  0.853019D+00 -0.114811D+02  0.168673D+01 -0.204907D+01
               196           197           198           199           200 
      1   0.145231D+02 -0.426705D+02  0.266302D+02  0.537980D+02  0.430332D+02
      2  -0.150219D+02  0.260361D+02 -0.261146D+02 -0.518962D+02 -0.434194D+02
      3   0.498810D+00  0.166344D+02 -0.515574D+00 -0.190178D+01  0.386221D+00
      4  -0.526842D+02  0.963633D+01 -0.130074D+02 -0.421705D+02 -0.330297D+02
      5   0.550000D+02  0.271838D+02  0.230624D+02  0.205024D+02  0.319590D+02
      6  -0.168622D+02  0.255621D+00 -0.129530D+02  0.475145D+01 -0.198611D+02
               201           202           203           204           205 
      1  -0.762683D+01 -0.768088D+01  0.267930D+02  0.115124D+02 -0.351058D-01
      2   0.112562D+01  0.267012D+02 -0.394641D+02 -0.217027D+02  0.124311D+02
      3   0.650121D+01 -0.190203D+02  0.126711D+02  0.101903D+02 -0.123960D+02
      4   0.115651D+02 -0.133534D+03 -0.375703D+02  0.324099D+02 -0.528896D+02
      5   0.386528D+01  0.599515D+02  0.169469D+02 -0.130492D+02  0.283254D+02
      6  -0.521337D+01  0.246345D+02 -0.839690D+01 -0.570852D+01  0.120652D+02
               206           207           208           209           210 
      1   0.275248D+01  0.618814D+01  0.365582D+01  0.125115D+03  0.195295D+02
      2  -0.755462D+01 -0.129524D+02 -0.656125D+01 -0.174070D+03 -0.104839D+02
      3   0.480214D+01  0.676422D+01  0.290543D+01  0.489551D+02 -0.904559D+01
      4  -0.868449D+01  0.113451D+02 -0.541680D+02  0.470412D+02  0.227486D+02
      5   0.110946D+02 -0.192580D+01  0.659591D+02  0.841171D+02  0.644466D+01
      6  -0.321074D+01 -0.536658D+01  0.605083D+01 -0.468144D+02 -0.289674D+02
               211           212           213           214           215 
      1   0.199884D+02  0.697671D+02  0.378250D+01 -0.390704D+01  0.221344D+02
      2  -0.301999D+02 -0.127050D+03 -0.367230D+01  0.188392D+02 -0.478660D+02
      3   0.102115D+02  0.572833D+02 -0.110198D+00 -0.149322D+02  0.257316D+02
      4   0.311251D+01  0.673144D+02  0.196619D+02 -0.344798D+01  0.296241D+02
      5   0.382447D+02  0.107815D+03 -0.220235D+01  0.394166D+02  0.175880D+02
      6   0.144727D+02 -0.504836D+02 -0.392598D+01 -0.389198D+02  0.680278D+01
               216           217           218           219           220 
      1  -0.679254D+01  0.242866D+02 -0.861344D+02 -0.171712D+02 -0.242381D+02
      2   0.746257D+00 -0.351254D+02  0.131795D+03  0.151332D+02  0.228889D+02
      3   0.604628D+01  0.108388D+02 -0.456607D+02  0.203796D+01  0.134911D+01
      4  -0.280971D+02  0.120986D+03 -0.538963D+02 -0.449469D+02 -0.643438D+01
      5  -0.120815D+02 -0.801721D+02 -0.897694D+02  0.825337D+00  0.160541D+02
      6   0.120365D+02 -0.230948D+02  0.396469D+02  0.267184D+02  0.115310D+01
               221           222           223           224           225 
      1  -0.284464D+02  0.178729D+02 -0.133732D+02  0.495116D+01 -0.253397D+02
      2   0.470159D+02 -0.281356D+02  0.652213D+01 -0.340035D+02  0.148938D+02
      3  -0.185695D+02  0.102627D+02  0.685105D+01  0.290524D+02  0.104459D+02
      4  -0.457178D+02  0.522796D+01 -0.845119D+01 -0.504392D+01 -0.577811D+00
      5  -0.141160D+02 -0.728063D+01  0.680851D+01 -0.210380D+02 -0.144071D+02
      6  -0.188782D+02  0.453171D+01  0.171131D+02  0.531248D+02  0.175685D+02
               226           227           228           229           230 
      1  -0.696303D+02 -0.276671D+00  0.132731D+02  0.166623D+02 -0.375119D+02
      2   0.632066D+02  0.313312D+01 -0.143084D+02 -0.346237D+02  0.600371D+02
      3   0.642376D+01 -0.285645D+01  0.103531D+01  0.179614D+02 -0.225252D+02
      4  -0.241590D+02  0.274298D+02  0.225632D+02  0.136826D+03  0.440953D+02
      5   0.233784D+02  0.673273D+01 -0.101177D+02 -0.759405D+02 -0.304504D+02
      6   0.124850D+02  0.114909D+01 -0.467718D+01 -0.272467D+02  0.124909D+02
               231           232           233           234           235 
      1  -0.857335D+01  0.123702D+02 -0.210962D+01 -0.208562D+02  0.551510D+02
      2   0.277914D+02 -0.176870D+02  0.614731D+01  0.195073D+02 -0.466402D+02
      3  -0.192180D+02  0.531683D+01 -0.403769D+01  0.134889D+01 -0.851079D+01
      4  -0.349535D+02  0.464223D+02  0.136042D+02 -0.130660D+02 -0.360420D+02
      5   0.165246D+02 -0.309762D+02 -0.802403D+01  0.112688D+02 -0.429752D+01
      6   0.718147D+01 -0.108331D+02  0.175804D+02  0.814145D+01 -0.373919D-01
               236           237           238           239           240 
      1   0.525809D+01 -0.160457D+02 -0.634849D+01  0.451526D+01  0.177740D+02
      2  -0.256470D+02  0.876304D+01  0.111153D+02  0.290281D+01 -0.242750D+02
      3   0.203889D+02  0.728271D+01 -0.476678D+01 -0.741808D+01  0.650106D+01
      4  -0.673448D+02 -0.109583D+02  0.383704D+02  0.226691D+02 -0.120706D+02
      5  -0.138647D+01 -0.304599D+01  0.265448D+01 -0.129966D+02  0.717864D+00
      6   0.715870D+01 -0.120613D+00 -0.890323D+01 -0.268688D+02  0.617400D+01
               241           242           243           244           245 
      1  -0.107512D+02  0.209034D+02 -0.801646D+01 -0.716769D+01 -0.321601D+02
      2   0.775513D+01 -0.255254D+02  0.746401D+01 -0.289158D+01  0.473825D+02
      3   0.299610D+01  0.462199D+01  0.552449D+00  0.100593D+02 -0.152224D+02
      4   0.304519D+02  0.140101D+02  0.145214D+02  0.405274D+02  0.501134D+02
      5   0.992160D+01  0.986613D+01  0.106166D+02 -0.222006D+02  0.212239D+00
      6   0.101075D+02  0.224158D+02  0.124154D+02 -0.160894D+01  0.301842D+01
               246           247           248           249           250 
      1  -0.676918D+01  0.545197D+02 -0.159541D+02 -0.252276D+02  0.425486D+02
      2   0.111472D+02 -0.606870D+02 -0.739711D+00  0.219935D+02 -0.404863D+02
      3  -0.437798D+01  0.616727D+01  0.166938D+02  0.323405D+01 -0.206226D+01
      4   0.270420D+01 -0.150845D+02 -0.438965D+02 -0.256760D+02 -0.206915D+02
      5   0.247684D+02 -0.496646D+02 -0.968200D+01  0.104358D+02  0.157230D+02
      6   0.145688D+02 -0.256845D+02 -0.545488D+01  0.569530D+01  0.183088D+02
               251           252           253           254           255 
      1   0.515299D+01 -0.906344D+01  0.205220D+02  0.236556D+02 -0.853826D+01
      2  -0.187152D+02  0.335576D+01 -0.267583D+02  0.439296D+01  0.868114D+01
      3   0.135622D+02  0.570768D+01  0.623628D+01 -0.280486D+02 -0.142874D+00
      4  -0.434927D+02  0.141379D+02  0.799432D+02  0.184700D+02 -0.128675D+02
      5   0.979319D+01 -0.968266D+01 -0.313674D+02 -0.665186D+01  0.969361D+00
      6   0.191570D+02 -0.104742D+02 -0.601878D+01  0.839274D+01  0.509858D+01
               256           257           258           259           260 
      1  -0.276672D+02  0.842293D+01  0.106001D+02 -0.793603D+01 -0.395057D+01
      2   0.368400D+02  0.345742D+01 -0.105309D+01  0.153839D+02  0.603949D+01
      3  -0.917273D+01 -0.118804D+02 -0.954702D+01 -0.744783D+01 -0.208892D+01
      4  -0.124429D+02  0.396790D+02  0.158462D+02 -0.239786D+02  0.829519D+01
      5   0.111047D+02  0.825508D+01  0.932859D+01  0.189722D+02  0.108091D+02
      6   0.148981D+02 -0.247506D+00 -0.373036D+01  0.200206D+02  0.407694D+01
               261           262           263           264           265 
      1   0.653285D+01 -0.513490D+02 -0.142978D+02  0.171240D+02 -0.140085D+02
      2  -0.802141D+01  0.604978D+02 -0.675465D+01 -0.269467D+02  0.968372D+01
      3   0.148857D+01 -0.914875D+01  0.210524D+02  0.982276D+01  0.432477D+01
      4   0.163763D+02 -0.750551D+02 -0.177551D+02  0.985778D+01  0.961425D+01
      5  -0.330215D+01  0.538342D+02 -0.903205D+01 -0.184183D+02  0.171630D+02
      6  -0.135113D+02  0.788204D+01  0.166448D+01 -0.358315D+01 -0.298690D+01
               266           267           268           269           270 
      1   0.779340D+01  0.744654D+01  0.304462D+00  0.104104D+02 -0.115912D+02
      2  -0.143687D+02 -0.841111D+01 -0.152420D+01 -0.307560D+01 -0.105178D+02
      3   0.657535D+01  0.964576D+00  0.121974D+01 -0.733482D+01  0.221089D+02
      4  -0.140040D+02  0.407039D+00  0.130034D+02  0.785072D+01 -0.967645D+01
      5   0.263046D+01 -0.108921D+02  0.267094D+01 -0.104161D+02  0.398524D+00
      6  -0.696294D+01  0.589716D+00 -0.298051D+01  0.220368D+01 -0.983672D+01
               271           272           273           274           275 
      1  -0.101445D+02  0.229045D+02 -0.157775D+01  0.165548D+02 -0.386898D+02
      2   0.319409D+02 -0.541046D+02 -0.244926D+00 -0.383088D+02  0.825632D+02
      3  -0.217965D+02  0.312001D+02  0.182267D+01  0.217539D+02 -0.438734D+02
      4  -0.331058D+02  0.463011D+02  0.185163D+01  0.315110D+02 -0.515274D+02
      5  -0.265696D+01  0.387974D+01  0.310308D+01  0.565763D+01 -0.817291D+01
      6  -0.336136D+01  0.612823D+01 -0.641053D+01 -0.374626D+01  0.345137D+01
               276           277           278           279           280 
      1  -0.452979D+01  0.187779D+01 -0.948986D+01 -0.258030D+01 -0.243210D+01
      2   0.672069D+01 -0.639507D+01  0.159620D+02  0.232987D+01  0.573405D+01
      3  -0.219090D+01  0.451728D+01 -0.647218D+01  0.250435D+00 -0.330195D+01
      4  -0.538305D+01 -0.393638D+01 -0.802685D-01 -0.653477D+01  0.720283D+01
      5  -0.242857D+01  0.302453D+01 -0.432828D+01  0.820220D-01  0.121983D+01
      6   0.468915D+01 -0.519476D+01  0.699760D+01  0.146580D+01  0.836931D+01
               281           282           283           284           285 
      1  -0.864027D+01 -0.406568D+01 -0.725300D+01 -0.621868D+02 -0.307766D+02
      2   0.115750D+02  0.553962D+01  0.990292D+01  0.974474D+02  0.410447D+02
      3  -0.293475D+01 -0.147394D+01 -0.264992D+01 -0.352606D+02 -0.102681D+02
      4   0.147094D+02  0.987037D+01  0.710898D+01  0.260216D+02  0.101434D+02
      5   0.445026D+01  0.278577D+01  0.170397D+01 -0.112018D+01 -0.140049D+00
      6   0.986267D+01  0.102909D+02  0.511712D+01  0.515994D+02  0.325203D+02
               286           287           288           289           290 
      1  -0.550986D+01 -0.335708D+02 -0.216914D+02  0.108049D+03  0.288293D+02
      2   0.117999D+02  0.474251D+02  0.271389D+02 -0.676563D+02 -0.160258D+02
      3  -0.629000D+01 -0.138543D+02 -0.544746D+01 -0.403924D+02 -0.128035D+02
      4   0.101159D+02  0.195635D+02  0.124998D+02  0.661045D+02  0.245540D+02
      5   0.174587D+01  0.213770D+01  0.341698D+01  0.592071D+02  0.150634D+02
      6   0.495819D+01  0.368753D+02  0.227310D+02  0.177634D+02  0.711143D+01
               291           292           293           294           295 
      1   0.396995D+02  0.642785D+01  0.150700D+02  0.445893D+01  0.389852D+02
      2  -0.292037D+02 -0.179335D+01 -0.516033D+01 -0.326267D+01 -0.228436D+02
      3  -0.104958D+02 -0.463450D+01 -0.990963D+01 -0.119626D+01 -0.161416D+02
      4   0.259789D+02  0.249970D+02  0.132581D+02  0.121090D+02  0.288400D+02
      5   0.331531D+02  0.124131D+02  0.584288D+01  0.857269D+01  0.249109D+02
      6   0.997031D+01  0.972821D+01  0.462512D+01  0.672734D+01  0.814931D+01
               296           297           298           299           300 
      1   0.763040D+01  0.167356D+02  0.725643D+00  0.550647D+01 -0.760652D+00
      2  -0.474668D+01 -0.116874D+02  0.455058D+01  0.112955D+01  0.130098D+01
      3  -0.288372D+01 -0.504820D+01 -0.527622D+01 -0.663601D+01 -0.540329D+00
      4   0.104623D+02  0.127956D+02  0.205743D+02  0.259391D+02  0.155580D+02
      5   0.105493D+02  0.149969D+02  0.991367D+01  0.132627D+02  0.109347D+02
      6   0.522896D+01  0.518652D+01  0.111237D+02  0.140026D+02  0.890914D+01
               301           302           303           304           305 
      1  -0.789512D+01 -0.355833D+02 -0.170755D+02 -0.680479D+01 -0.884407D+01
      2   0.198338D+02  0.550082D+02  0.218824D+02  0.941257D+01  0.223602D+02
      3  -0.119387D+02 -0.194249D+02 -0.480697D+01 -0.260778D+01 -0.135161D+02
      4   0.351860D+02  0.701518D+02  0.350526D+02  0.233746D+02  0.424294D+02
      5   0.127496D+02  0.277462D+02  0.171408D+02  0.123378D+02  0.143056D+02
      6   0.214588D+02  0.531820D+02  0.317192D+02  0.142502D+02  0.278788D+02
               306           307           308           309           310 
      1  -0.930598D+01  0.800892D+02 -0.452832D+02 -0.343373D+01 -0.440180D+02
      2   0.960568D+01 -0.299426D+02  0.146642D+02  0.196276D+01  0.713184D+01
      3  -0.299708D+00 -0.501466D+02  0.306190D+02  0.147097D+01  0.368861D+02
      4   0.211497D+02 -0.786124D+02  0.527699D+02  0.139071D+01  0.689346D+02
      5   0.133355D+02 -0.106237D+02  0.214897D+01  0.801882D+01  0.107034D+02
      6   0.213945D+02 -0.134495D+01  0.184593D+01 -0.362586D+01 -0.183604D+01
               311           312           313           314           315 
      1   0.323431D+02  0.444714D+01 -0.502408D+01  0.283693D+01  0.152526D+01
      2   0.410991D+00 -0.208563D+01  0.160616D+00  0.111025D+01 -0.493569D+00
      3  -0.327541D+02 -0.236150D+01  0.486346D+01 -0.394717D+01 -0.103170D+01
      4  -0.612246D+02 -0.556554D+01  0.120065D+02 -0.127298D+02 -0.295829D+01
      5  -0.133027D+02 -0.654148D+01  0.597595D+01  0.119764D+01 -0.127577D+01
      6   0.278716D+01  0.413737D+01 -0.215207D+01  0.649721D+00  0.232150D+01
               316           317           318           319           320 
      1   0.168300D+03  0.838362D+01  0.326486D+02  0.202994D+02  0.103084D+02
      2  -0.103975D+03 -0.529508D+01 -0.228415D+02 -0.138640D+02 -0.657290D+01
      3  -0.643254D+02 -0.308854D+01 -0.980712D+01 -0.643541D+01 -0.373549D+01
      4   0.622732D+00  0.642894D+01 -0.121236D+01  0.194462D+02  0.486621D+01
      5   0.448677D+02  0.142046D+01  0.198719D+02  0.114848D+02  0.886506D+01
      6  -0.672663D+01  0.850366D+00 -0.231460D+01  0.206048D+01 -0.820519D+00
               321           322           323           324           325 
      1   0.759686D+01  0.459298D+02  0.459261D+01  0.121372D+02  0.171972D+02
      2  -0.602304D+01 -0.307597D+02 -0.164534D+01 -0.896486D+01  0.142906D+02
      3  -0.157382D+01 -0.151700D+02 -0.294727D+01 -0.317235D+01 -0.314878D+02
      4   0.416682D+01  0.394653D+01  0.136140D+01  0.459711D+00 -0.704514D+02
      5   0.441313D+01  0.155817D+02 -0.433222D+01  0.747012D+01 -0.158072D+02
      6   0.132752D+01 -0.104108D+01  0.229934D+01  0.818435D+00  0.117071D+02
               326           327           328           329           330 
      1  -0.664416D+01 -0.298203D+01  0.465199D+01 -0.902115D+01 -0.236306D+01
      2  -0.231298D+02 -0.311176D+01 -0.287029D+02  0.427474D+02  0.812774D+01
      3   0.297739D+02  0.609379D+01  0.240509D+02 -0.337263D+02 -0.576468D+01
      4   0.647500D+02  0.167684D+02  0.533044D+02 -0.692878D+02 -0.175580D+02
      5   0.160791D+02  0.971458D+01  0.151411D+02 -0.140708D+02 -0.842825D+01
      6  -0.132945D+02 -0.812880D+01 -0.155014D+02  0.171628D+02  0.111332D+02
               331           332           333           334           335 
      1   0.178573D+00 -0.724188D+00  0.198253D+00 -0.732787D+01 -0.168339D+02
      2  -0.991442D+01  0.672800D+01  0.336948D+01  0.111639D+02  0.228252D+02
      3   0.973585D+01 -0.600381D+01 -0.356773D+01 -0.383604D+01 -0.599131D+01
      4   0.166134D+02 -0.173726D+02 -0.659876D+01  0.375196D+01  0.171900D+02
      5   0.475654D+01 -0.694722D+01 -0.390198D+01 -0.155771D+01  0.238220D+01
      6  -0.237286D+01  0.914646D+01  0.357482D+01  0.443454D+01  0.734212D+01
               336           337           338           339           340 
      1  -0.418049D+01 -0.283201D+01 -0.896783D+02 -0.248312D+02 -0.235438D+00
      2   0.509132D+01  0.284626D+01  0.133797D+03  0.324044D+02  0.225396D+01
      3  -0.910830D+00 -0.142460D-01 -0.441189D+02 -0.757324D+01 -0.201853D+01
      4   0.333686D+01  0.591246D+01 -0.137364D+02 -0.394439D+01 -0.327539D+00
      5   0.277532D+01  0.100021D+01 -0.672852D+01 -0.325823D+01  0.385378D+01
      6   0.332300D+01  0.237860D+01  0.514241D+02  0.222306D+02 -0.281815D+01
               341           342           343           344           345 
      1  -0.311806D+02 -0.966133D+01 -0.317092D+01 -0.669462D+01 -0.136238D+01
      2   0.462942D+02  0.122585D+02  0.120528D+02  0.191198D+02  0.380189D+01
      3  -0.151136D+02 -0.259713D+01 -0.888188D+01 -0.124252D+02 -0.243951D+01
      4  -0.820851D+01 -0.119503D+01  0.149563D+02  0.270600D+02  0.617026D+01
      5  -0.694243D+00 -0.302886D+00  0.183018D+01  0.534037D+01  0.413275D+01
      6   0.172022D+02  0.105879D+02  0.463567D+01  0.420205D+01  0.274384D+01
               346           347           348           349           350 
      1  -0.159995D+02 -0.599184D+02 -0.157475D+02 -0.371615D+01 -0.217625D+02
      2   0.302681D+02  0.102867D+03  0.235821D+02  0.634262D+01  0.330000D+02
      3  -0.142686D+02 -0.429489D+02 -0.783462D+01 -0.262647D+01 -0.112375D+02
      4   0.228098D+02  0.551415D+02  0.149890D+02  0.725130D+01  0.167332D+02
      5   0.665100D+01  0.143376D+02  0.596815D+01  0.169021D+01  0.516460D+01
      6   0.103327D+02  0.302446D+02  0.160946D+02  0.449687D+01  0.154417D+02
               351           352           353           354           355 
      1  -0.882857D+01  0.528978D+02  0.221686D+02 -0.150054D+01  0.111430D+02
      2   0.116152D+02 -0.139849D+02 -0.614061D+00  0.102444D+01  0.500096D+01
      3  -0.278659D+01 -0.389128D+02 -0.215546D+02  0.476095D+00 -0.161440D+02
      4   0.560876D+01  0.756661D+02  0.444910D+02 -0.232389D+01  0.335136D+02
      5   0.286962D+01 -0.384768D+01 -0.135859D+01  0.707428D+01  0.237965D+01
      6   0.841899D+01 -0.609651D+01 -0.376793D+01  0.463669D+01  0.108081D+01
               356           357           358           359           360 
      1   0.627827D+01  0.495601D+00 -0.371754D+01 -0.969736D+00  0.219607D+01
      2   0.717047D+01 -0.182793D+00  0.474333D+01  0.276947D+01 -0.356076D+00
      3  -0.134487D+02 -0.312809D+00 -0.102579D+01 -0.179973D+01 -0.184000D+01
      4   0.276648D+02  0.188513D+01  0.169238D+01  0.453740D+01  0.312355D+01
      5   0.159562D+01  0.227216D+01  0.225763D+01  0.195010D+01  0.204716D+01
      6  -0.116489D+01  0.189826D+01  0.560676D+00  0.152666D+01  0.117555D+01
               361           362           363           364           365 
      1   0.128125D+03 -0.154736D+02 -0.248599D+02 -0.838569D+01  0.194809D+02
      2  -0.756548D+02  0.805904D+01  0.186346D+02  0.294744D+01 -0.139312D+02
      3  -0.524699D+02  0.741454D+01  0.622522D+01  0.543824D+01 -0.554976D+01
      4  -0.164802D+02  0.296844D+02  0.773904D+01  0.698071D+02 -0.201006D+02
      5  -0.471844D+02  0.103418D+02  0.396941D+02  0.164573D+01 -0.268577D+02
      6   0.262560D+01 -0.905513D+01 -0.143244D+01 -0.255937D+02  0.587946D+01
               366           367           368           369           370 
      1  -0.321589D-01  0.689192D+01  0.209583D+01  0.321867D+01 -0.407728D+01
      2  -0.431936D+01  0.202800D+02 -0.379332D+01 -0.468033D+02  0.268201D+01
      3   0.435152D+01 -0.271720D+02  0.169749D+01  0.435846D+02  0.139528D+01
      4  -0.273505D+02  0.120383D+02 -0.115467D+02 -0.375707D+01 -0.176383D+01
      5  -0.107682D+02  0.632045D+02 -0.122782D+02 -0.557769D+02  0.476309D+01
      6   0.250126D+02 -0.125526D+01  0.158956D+02 -0.395415D+01  0.527356D+00
               371           372           373           374           375 
      1  -0.112102D+01  0.116202D+01 -0.416618D+01 -0.555090D+01 -0.149355D+01
      2  -0.124178D+01 -0.198222D+01  0.304879D+01 -0.168868D+01 -0.394326D+01
      3   0.236280D+01  0.820194D+00  0.111739D+01  0.723958D+01  0.543681D+01
      4  -0.810307D+00  0.704554D+00 -0.381459D+00 -0.260869D+01 -0.125312D+01
      5   0.397798D+01 -0.171268D+01  0.356009D+01  0.376480D+01 -0.281351D+01
      6  -0.914395D+00 -0.423227D+00 -0.126392D+00  0.112171D+01  0.102622D+01
               376           377           378 
      1  -0.745025D+00 -0.624665D+00 -0.358582D+01
      2   0.101558D+01 -0.292253D+01 -0.161677D+01
      3  -0.270551D+00  0.354719D+01  0.520259D+01
      4   0.843300D+00 -0.149613D+01 -0.598299D+00
      5   0.146469D+01 -0.111872D+00 -0.699820D+00
      6  -0.856322D+00  0.106379D+01  0.241819D+01
 End of Minotr F.D. properties file   788 does not exist.
 Leave Link 1002 at Sat Jul 17 02:13:18 2021, MaxMem=  6442450944 cpu:          363759.6 elap:           45582.6
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l601.exe)
 Copying SCF densities to generalized density rwf, IOpCl= 0 IROHF=0.

 **********************************************************************

            Population analysis using the SCF density.

 **********************************************************************

 Orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A)
 The electronic state is 1-A.
 Alpha  occ. eigenvalues -- -482.87983 -62.53068 -56.34771 -56.34433 -56.34423
 Alpha  occ. eigenvalues --  -10.24288 -10.21078 -10.21036 -10.20993 -10.20768
 Alpha  occ. eigenvalues --  -10.20667 -10.20588 -10.20554 -10.20389 -10.20203
 Alpha  occ. eigenvalues --  -10.20158 -10.20072 -10.19947 -10.19771 -10.19714
 Alpha  occ. eigenvalues --  -10.19696 -10.19687 -10.19614 -10.19572 -10.19495
 Alpha  occ. eigenvalues --  -10.19354 -10.19280 -10.19022 -10.18959 -10.18895
 Alpha  occ. eigenvalues --  -10.18705  -8.71122  -6.54099  -6.52872  -6.52843
 Alpha  occ. eigenvalues --   -2.65142  -2.64789  -2.64770  -2.63791  -2.63791
 Alpha  occ. eigenvalues --   -0.90950  -0.89134  -0.87552  -0.85469  -0.83341
 Alpha  occ. eigenvalues --   -0.81185  -0.80473  -0.79104  -0.77472  -0.76142
 Alpha  occ. eigenvalues --   -0.74839  -0.73768  -0.72325  -0.71729  -0.65542
 Alpha  occ. eigenvalues --   -0.64990  -0.63061  -0.62439  -0.62055  -0.61100
 Alpha  occ. eigenvalues --   -0.58518  -0.56787  -0.54584  -0.53568  -0.52191
 Alpha  occ. eigenvalues --   -0.51574  -0.50514  -0.49430  -0.48114  -0.47107
 Alpha  occ. eigenvalues --   -0.46139  -0.45768  -0.44848  -0.44362  -0.43704
 Alpha  occ. eigenvalues --   -0.43469  -0.42955  -0.42884  -0.41581  -0.41293
 Alpha  occ. eigenvalues --   -0.41195  -0.40047  -0.39177  -0.38450  -0.38084
 Alpha  occ. eigenvalues --   -0.37411  -0.36864  -0.36557  -0.35448  -0.34933
 Alpha  occ. eigenvalues --   -0.33964  -0.33293  -0.32921  -0.31531  -0.30127
 Alpha  occ. eigenvalues --   -0.29837  -0.28964  -0.28804  -0.26401  -0.23962
 Alpha  occ. eigenvalues --   -0.23715  -0.21674  -0.21575
 Alpha virt. eigenvalues --   -0.07271  -0.06525  -0.04312  -0.03907  -0.01298
 Alpha virt. eigenvalues --   -0.00968  -0.00665  -0.00448  -0.00391   0.00087
 Alpha virt. eigenvalues --    0.00646   0.00815   0.01105   0.01680   0.01888
 Alpha virt. eigenvalues --    0.02212   0.02433   0.02621   0.03221   0.03789
 Alpha virt. eigenvalues --    0.03988   0.04166   0.04506   0.04846   0.05086
 Alpha virt. eigenvalues --    0.05350   0.05888   0.06245   0.06584   0.06948
 Alpha virt. eigenvalues --    0.07512   0.07722   0.07905   0.07961   0.08115
 Alpha virt. eigenvalues --    0.08203   0.08339   0.08555   0.08698   0.08896
 Alpha virt. eigenvalues --    0.09326   0.09385   0.09720   0.09780   0.10096
 Alpha virt. eigenvalues --    0.10333   0.10689   0.10748   0.10968   0.11194
 Alpha virt. eigenvalues --    0.11231   0.11539   0.11709   0.11872   0.11890
 Alpha virt. eigenvalues --    0.12394   0.12600   0.12728   0.13012   0.13143
 Alpha virt. eigenvalues --    0.13387   0.13434   0.13845   0.14219   0.14618
 Alpha virt. eigenvalues --    0.15271   0.15461   0.15589   0.15930   0.16184
 Alpha virt. eigenvalues --    0.16234   0.16489   0.16645   0.16781   0.17409
 Alpha virt. eigenvalues --    0.17618   0.18001   0.18128   0.18249   0.18610
 Alpha virt. eigenvalues --    0.19380   0.19653   0.19824   0.19876   0.20212
 Alpha virt. eigenvalues --    0.20562   0.20736   0.21179   0.21334   0.21557
 Alpha virt. eigenvalues --    0.21618   0.21913   0.22237   0.22325   0.22434
 Alpha virt. eigenvalues --    0.22690   0.22893   0.22917   0.23290   0.23466
 Alpha virt. eigenvalues --    0.23625   0.24027   0.24070   0.24227   0.24408
 Alpha virt. eigenvalues --    0.24476   0.24973   0.25028   0.25096   0.25388
 Alpha virt. eigenvalues --    0.25536   0.25764   0.26041   0.26103   0.26241
 Alpha virt. eigenvalues --    0.26544   0.26834   0.27063   0.27181   0.27351
 Alpha virt. eigenvalues --    0.27459   0.27697   0.27969   0.28004   0.28369
 Alpha virt. eigenvalues --    0.28376   0.28619   0.28663   0.28836   0.28910
 Alpha virt. eigenvalues --    0.29555   0.29738   0.30037   0.30127   0.30255
 Alpha virt. eigenvalues --    0.30387   0.30621   0.30724   0.31383   0.31674
 Alpha virt. eigenvalues --    0.31784   0.31851   0.32161   0.32518   0.32753
 Alpha virt. eigenvalues --    0.33203   0.33446   0.33627   0.33713   0.34050
 Alpha virt. eigenvalues --    0.34386   0.34599   0.34899   0.35010   0.35230
 Alpha virt. eigenvalues --    0.35508   0.36027   0.36420   0.36583   0.36846
 Alpha virt. eigenvalues --    0.36982   0.37214   0.37543   0.37833   0.38176
 Alpha virt. eigenvalues --    0.38519   0.38848   0.39042   0.39306   0.39515
 Alpha virt. eigenvalues --    0.40389   0.40517   0.41018   0.41277   0.41558
 Alpha virt. eigenvalues --    0.41761   0.42277   0.42425   0.42781   0.43364
 Alpha virt. eigenvalues --    0.43844   0.43930   0.44195   0.44714   0.45448
 Alpha virt. eigenvalues --    0.45560   0.45644   0.45977   0.46415   0.46662
 Alpha virt. eigenvalues --    0.46790   0.47473   0.47834   0.48162   0.48448
 Alpha virt. eigenvalues --    0.48812   0.49066   0.49658   0.50321   0.50531
 Alpha virt. eigenvalues --    0.50943   0.51142   0.51608   0.51672   0.51922
 Alpha virt. eigenvalues --    0.52379   0.52635   0.52869   0.52905   0.53571
 Alpha virt. eigenvalues --    0.53609   0.53845   0.53951   0.54570   0.54748
 Alpha virt. eigenvalues --    0.55073   0.55215   0.55866   0.56029   0.56525
 Alpha virt. eigenvalues --    0.56776   0.57003   0.57407   0.57541   0.57939
 Alpha virt. eigenvalues --    0.58179   0.58445   0.58651   0.58930   0.59108
 Alpha virt. eigenvalues --    0.59399   0.59517   0.59759   0.60147   0.60484
 Alpha virt. eigenvalues --    0.60497   0.60678   0.60996   0.61305   0.61506
 Alpha virt. eigenvalues --    0.61750   0.62002   0.62122   0.62411   0.62593
 Alpha virt. eigenvalues --    0.62927   0.63088   0.63205   0.63384   0.63900
 Alpha virt. eigenvalues --    0.64251   0.64361   0.64795   0.65011   0.65547
 Alpha virt. eigenvalues --    0.65694   0.65875   0.66228   0.66578   0.66799
 Alpha virt. eigenvalues --    0.67342   0.67418   0.67679   0.68142   0.68511
 Alpha virt. eigenvalues --    0.69081   0.69487   0.69677   0.70202   0.70381
 Alpha virt. eigenvalues --    0.70586   0.71190   0.71345   0.71895   0.71987
 Alpha virt. eigenvalues --    0.72202   0.72653   0.73208   0.73753   0.73855
 Alpha virt. eigenvalues --    0.74250   0.74719   0.75083   0.75196   0.75490
 Alpha virt. eigenvalues --    0.75970   0.76377   0.76626   0.76859   0.77330
 Alpha virt. eigenvalues --    0.77928   0.78021   0.78266   0.78345   0.78701
 Alpha virt. eigenvalues --    0.78897   0.79098   0.79411   0.79703   0.79935
 Alpha virt. eigenvalues --    0.80265   0.80814   0.80977   0.81309   0.81632
 Alpha virt. eigenvalues --    0.81989   0.82541   0.82699   0.83028   0.83534
 Alpha virt. eigenvalues --    0.84057   0.84160   0.84709   0.85359   0.85625
 Alpha virt. eigenvalues --    0.85894   0.86593   0.86722   0.87096   0.87226
 Alpha virt. eigenvalues --    0.87744   0.88238   0.88481   0.89330   0.89550
 Alpha virt. eigenvalues --    0.89601   0.90511   0.90889   0.91009   0.91694
 Alpha virt. eigenvalues --    0.92588   0.92872   0.93557   0.94007   0.94513
 Alpha virt. eigenvalues --    0.95467   0.96990   0.97092   0.98130   0.99240
 Alpha virt. eigenvalues --    0.99646   1.00031   1.01243   1.01554   1.02336
 Alpha virt. eigenvalues --    1.02578   1.03362   1.03760   1.04578   1.05122
 Alpha virt. eigenvalues --    1.05300   1.06030   1.06157   1.06633   1.07931
 Alpha virt. eigenvalues --    1.08319   1.08600   1.09413   1.10215   1.10752
 Alpha virt. eigenvalues --    1.11003   1.11551   1.12319   1.13045   1.13223
 Alpha virt. eigenvalues --    1.14361   1.15462   1.15686   1.16631   1.17084
 Alpha virt. eigenvalues --    1.17668   1.18348   1.19134   1.19270   1.20311
 Alpha virt. eigenvalues --    1.20987   1.21814   1.22853   1.24340   1.24743
 Alpha virt. eigenvalues --    1.25415   1.25859   1.26627   1.26803   1.27204
 Alpha virt. eigenvalues --    1.28145   1.28480   1.28871   1.29662   1.29800
 Alpha virt. eigenvalues --    1.30237   1.30735   1.31766   1.32180   1.33549
 Alpha virt. eigenvalues --    1.33702   1.33969   1.35005   1.35102   1.35667
 Alpha virt. eigenvalues --    1.36068   1.36395   1.36792   1.37293   1.37354
 Alpha virt. eigenvalues --    1.37753   1.38265   1.38516   1.39186   1.39578
 Alpha virt. eigenvalues --    1.40311   1.41049   1.41667   1.42019   1.42155
 Alpha virt. eigenvalues --    1.42815   1.42987   1.43559   1.44370   1.44765
 Alpha virt. eigenvalues --    1.45945   1.46147   1.47014   1.47476   1.47591
 Alpha virt. eigenvalues --    1.48131   1.48546   1.49092   1.49515   1.50100
 Alpha virt. eigenvalues --    1.50486   1.51166   1.51427   1.52172   1.52784
 Alpha virt. eigenvalues --    1.53301   1.53672   1.54470   1.54940   1.55148
 Alpha virt. eigenvalues --    1.55907   1.56639   1.57097   1.57934   1.58438
 Alpha virt. eigenvalues --    1.58738   1.59244   1.59365   1.60428   1.60859
 Alpha virt. eigenvalues --    1.61097   1.61439   1.61759   1.62494   1.62866
 Alpha virt. eigenvalues --    1.63232   1.63410   1.64027   1.64194   1.64896
 Alpha virt. eigenvalues --    1.65226   1.65630   1.66358   1.66888   1.67598
 Alpha virt. eigenvalues --    1.67914   1.68538   1.68999   1.69404   1.69909
 Alpha virt. eigenvalues --    1.70810   1.70931   1.71807   1.72681   1.72759
 Alpha virt. eigenvalues --    1.73353   1.73494   1.73878   1.74110   1.74833
 Alpha virt. eigenvalues --    1.74920   1.75317   1.76022   1.76101   1.76997
 Alpha virt. eigenvalues --    1.77590   1.77797   1.78019   1.78389   1.78971
 Alpha virt. eigenvalues --    1.79144   1.80357   1.80839   1.81237   1.81776
 Alpha virt. eigenvalues --    1.82862   1.83000   1.83293   1.84071   1.84777
 Alpha virt. eigenvalues --    1.85214   1.85702   1.86825   1.87118   1.87500
 Alpha virt. eigenvalues --    1.87667   1.88561   1.88816   1.89146   1.89892
 Alpha virt. eigenvalues --    1.90778   1.91045   1.91773   1.91978   1.92879
 Alpha virt. eigenvalues --    1.93207   1.93546   1.94238   1.94804   1.95566
 Alpha virt. eigenvalues --    1.96064   1.96664   1.97037   1.97444   1.97764
 Alpha virt. eigenvalues --    1.98817   2.00024   2.00415   2.00856   2.01672
 Alpha virt. eigenvalues --    2.02270   2.02493   2.02915   2.03076   2.03938
 Alpha virt. eigenvalues --    2.04317   2.05157   2.05597   2.06452   2.06860
 Alpha virt. eigenvalues --    2.07039   2.07463   2.07972   2.08525   2.09465
 Alpha virt. eigenvalues --    2.10296   2.10526   2.11699   2.12664   2.13304
 Alpha virt. eigenvalues --    2.13683   2.14166   2.14627   2.15418   2.16362
 Alpha virt. eigenvalues --    2.16750   2.17334   2.17537   2.17638   2.19433
 Alpha virt. eigenvalues --    2.19594   2.19736   2.21784   2.21903   2.22417
 Alpha virt. eigenvalues --    2.23386   2.25132   2.25202   2.26193   2.26750
 Alpha virt. eigenvalues --    2.27058   2.27916   2.29427   2.29572   2.29998
 Alpha virt. eigenvalues --    2.31393   2.31503   2.32505   2.33438   2.34553
 Alpha virt. eigenvalues --    2.35149   2.36504   2.37869   2.38629   2.39264
 Alpha virt. eigenvalues --    2.40339   2.41578   2.43519   2.44029   2.45615
 Alpha virt. eigenvalues --    2.46708   2.47324   2.48583   2.49015   2.53851
 Alpha virt. eigenvalues --    2.54160   2.54523   2.55375   2.56191   2.57230
 Alpha virt. eigenvalues --    2.58745   2.61448   2.63205   2.64609   2.65628
 Alpha virt. eigenvalues --    2.66557   2.67272   2.69010   2.70224   2.70706
 Alpha virt. eigenvalues --    2.72548   2.74161   2.75315   2.77119   2.78034
 Alpha virt. eigenvalues --    2.81080   2.82393   2.85031   2.85262   2.88585
 Alpha virt. eigenvalues --    2.90195   2.90773   2.93116   2.93940   2.95556
 Alpha virt. eigenvalues --    2.98291   3.01250   3.03716   3.06386   3.10054
 Alpha virt. eigenvalues --    3.19031   3.20892   3.25221   3.27934   3.29946
 Alpha virt. eigenvalues --    3.35249   3.37261   3.41507   3.43256   3.45383
 Alpha virt. eigenvalues --    3.47711   3.49797   3.54682   3.67715   3.71691
 Alpha virt. eigenvalues --    3.82182   3.84813   3.92438   4.07670   4.34088
 Alpha virt. eigenvalues --    4.35639   4.39887   4.75128   4.86708
          Condensed to atoms (all electrons):
               1          2          3          4          5          6
     1  H    4.383401  -3.419810   1.567256  -0.227881  -0.062637  -0.005498
     2  C   -3.419810  41.474873 -14.045425   1.455817   6.886937   0.123113
     3  C    1.567256 -14.045425  25.637790  -2.796840  -9.788714   1.181553
     4  H   -0.227881   1.455817  -2.796840   3.253666   1.255168  -0.172858
     5  C   -0.062637   6.886937  -9.788714   1.255168  23.860549  -2.894103
     6  H   -0.005498   0.123113   1.181553  -0.172858  -2.894103   3.057724
     7  C    0.153581  -9.433973   8.585878  -0.368034 -12.708523   1.234489
     8  H    0.002478   0.299992  -0.759522  -0.037574   1.554274  -0.204746
     9  C   -0.472354  -1.572166  -7.552861   0.064615   3.382571  -0.307416
    10  C   -0.040965  -0.325346  -0.744850  -0.038574   0.303917   0.036401
    11  C    0.879534  -8.207167   2.893114  -0.383751  -2.751382  -0.217204
    12  C    0.270288  -7.150184   1.694985  -0.232837  -2.336345   0.086723
    13  C   -0.065910  -0.480655  -0.620067  -0.029206   0.143404   0.024428
    14  C    0.029254  -0.892474   1.406709   0.024909  -1.757520  -0.013910
    15  C   -0.573494   3.175076  -0.146205   0.061841   0.628568   0.002876
    16  C    0.126676  -0.197808   0.541687   0.010937  -0.091767  -0.003982
    17  C    0.068594   0.644214  -0.119859  -0.006851   0.017248   0.001356
    18  C   -0.047130  -1.060802   0.333267   0.004993  -0.367406  -0.004086
    19  C    0.137577  -1.350005  -0.064427   0.084551   0.331572   0.003313
    20  C   -0.047563  -0.149308  -0.500396   0.010450   0.163705   0.005644
    21  C    0.029847   0.658132   0.227341   0.002143   0.058933   0.001403
    22  C   -0.019282  -0.663407  -0.322678  -0.006051  -0.048510  -0.000376
    23  C   -0.402374  -1.542122   0.440226  -0.077748  -0.459708  -0.045304
    24  C   -0.158441  -0.187263  -0.377489  -0.013852  -0.169235  -0.002264
    25  C    0.041826   0.044465   0.326854   0.035729   0.165389   0.001009
    26  C    0.186413   0.311092  -0.594931   0.023654   0.379063   0.001179
    27  C   -0.007603  -0.361308   0.354972   0.011599  -0.331812  -0.001286
    28  C   -0.040523  -0.070679  -0.394221  -0.009212   0.406573  -0.010362
    29  C   -0.144369   0.787521   0.031568   0.033311  -0.274457   0.003747
    30  C   -0.006977  -0.146886  -0.201880   0.022687   0.305975   0.004079
    31  H   -0.003751  -0.159774   0.113664   0.005252  -0.059225  -0.007721
    32  H    0.004671  -0.001788  -0.008754  -0.001020   0.007110   0.001316
    33  H   -0.005979  -0.002553  -0.007961  -0.000057   0.001279   0.000052
    34  H    0.002479   0.044286   0.008981   0.000035  -0.005203  -0.000050
    35  H   -0.004130  -0.019096  -0.002227   0.000221   0.000737   0.000008
    36  H   -0.001935   0.033806  -0.000156  -0.000015   0.000213   0.000006
    37  H   -0.002753  -0.002074   0.018540  -0.001069  -0.000597  -0.000008
    38  H    0.009718   0.001150  -0.018500   0.002343  -0.003455  -0.000146
    39  H    0.004003   0.018730  -0.006763  -0.003417   0.001578   0.000070
    40  H    0.002689   0.016001  -0.001071   0.000286  -0.006860   0.000387
    41  Br   0.003595   0.057763  -0.050564  -0.003455   0.028305   0.000792
    42  H   -0.033957   0.091764  -0.066059   0.010753  -0.016231   0.000336
               7          8          9         10         11         12
     1  H    0.153581   0.002478  -0.472354  -0.040965   0.879534   0.270288
     2  C   -9.433973   0.299992  -1.572166  -0.325346  -8.207167  -7.150184
     3  C    8.585878  -0.759522  -7.552861  -0.744850   2.893114   1.694985
     4  H   -0.368034  -0.037574   0.064615  -0.038574  -0.383751  -0.232837
     5  C  -12.708523   1.554274   3.382571   0.303917  -2.751382  -2.336345
     6  H    1.234489  -0.204746  -0.307416   0.036401  -0.217204   0.086723
     7  C   37.611943  -5.041064  -8.741342  -3.903039  -6.517357   0.773267
     8  H   -5.041064   3.805204   2.311161   0.288320   0.455347  -0.014253
     9  C   -8.741342   2.311161  36.140982  -2.917708 -13.152012  -3.116906
    10  C   -3.903039   0.288320  -2.917708  32.415283  -5.194605   4.485422
    11  C   -6.517357   0.455347 -13.152012  -5.194605  57.086794  -9.457185
    12  C    0.773267  -0.014253  -3.116906   4.485422  -9.457185  53.802010
    13  C    0.554956  -0.038876   3.350465  -2.124514  -3.349988  -8.975482
    14  C    2.225543  -0.326208  -1.733973 -13.172467   3.159736  -6.994253
    15  C   -0.961315   0.010013  -1.002845  -0.822655  -5.359453  -6.355258
    16  C    0.058641   0.000754  -0.847834   0.586510  -0.442352  -4.210363
    17  C   -0.076952  -0.003102   1.427447  -3.518834  -0.421486   2.226317
    18  C    0.631153  -0.015175  -1.511134   1.840046  -1.382485  -4.233645
    19  C    0.162729   0.001836   1.174652   0.198615  -1.829402  -1.472324
    20  C   -0.036114  -0.000472   0.027618   0.093684  -0.444313  -0.266212
    21  C   -0.065605  -0.000539  -0.377745  -0.133120  -0.259173  -1.733174
    22  C    0.049355   0.000334   0.585264  -0.318088  -0.579946   1.219051
    23  C    0.372669   0.023361  -0.404327   0.118550   2.479143  -1.242007
    24  C    0.011767   0.000056   0.262215   0.067907   0.216651  -0.928621
    25  C   -0.040549  -0.000055  -0.201493  -0.085804  -0.254598   0.254687
    26  C   -0.249250   0.000128  -0.138025  -0.054255  -0.127978   1.315231
    27  C    0.096164   0.001428  -0.108775   0.038995  -0.149060   0.459469
    28  C   -0.222524  -0.002069   0.318026   0.057527   0.390606  -0.243203
    29  C    0.150098  -0.007139  -0.222488   0.069944  -0.257944  -0.419253
    30  C   -0.553877   0.029939   0.614950  -0.092088  -0.234279  -1.730099
    31  H    1.036393  -0.241420  -0.216201  -4.267629  -0.059811  -0.750801
    32  H    0.000961   0.001107   0.157122   2.413074  -0.791858   0.630744
    33  H    0.003252   0.000000   0.021774   0.006986  -0.064537  -0.359860
    34  H   -0.023259  -0.000838  -0.000586  -0.471670   0.043440   0.758482
    35  H   -0.000421  -0.000017   0.001736  -0.001288   0.017352   0.011807
    36  H    0.000068  -0.000015  -0.008711   0.000639  -0.001076  -0.075286
    37  H    0.000345   0.000028  -0.005070   0.001968  -0.032206   0.082678
    38  H    0.000866  -0.000031   0.003728  -0.001616   0.025335  -0.023930
    39  H    0.001093   0.000103   0.000135   0.001042   0.018196  -0.008073
    40  H    0.000641  -0.000062   0.000413  -0.001054  -0.056114   0.015919
    41  Br  -0.046644   0.000045   0.048499   0.050451  -0.139279   0.075216
    42  H   -0.027315   0.006856   0.206587   0.026688  -0.416763   0.089332
              13         14         15         16         17         18
     1  H   -0.065910   0.029254  -0.573494   0.126676   0.068594  -0.047130
     2  C   -0.480655  -0.892474   3.175076  -0.197808   0.644214  -1.060802
     3  C   -0.620067   1.406709  -0.146205   0.541687  -0.119859   0.333267
     4  H   -0.029206   0.024909   0.061841   0.010937  -0.006851   0.004993
     5  C    0.143404  -1.757520   0.628568  -0.091767   0.017248  -0.367406
     6  H    0.024428  -0.013910   0.002876  -0.003982   0.001356  -0.004086
     7  C    0.554956   2.225543  -0.961315   0.058641  -0.076952   0.631153
     8  H   -0.038876  -0.326208   0.010013   0.000754  -0.003102  -0.015175
     9  C    3.350465  -1.733973  -1.002845  -0.847834   1.427447  -1.511134
    10  C   -2.124514 -13.172467  -0.822655   0.586510  -3.518834   1.840046
    11  C   -3.349988   3.159736  -5.359453  -0.442352  -0.421486  -1.382485
    12  C   -8.975482  -6.994253  -6.355258  -4.210363   2.226317  -4.233645
    13  C   27.610386  -3.009745  -2.689875  -0.532738   3.080851  -6.569190
    14  C   -3.009745  32.825425  -1.019593  -0.711793   0.479593  -2.146514
    15  C   -2.689875  -1.019593  45.200264  -5.949941  -4.177058   2.023392
    16  C   -0.532738  -0.711793  -5.949941  29.783805  -8.038332   4.088510
    17  C    3.080851   0.479593  -4.177058  -8.038332  38.680593 -19.820309
    18  C   -6.569190  -2.146514   2.023392   4.088510 -19.820309  38.145635
    19  C   -0.470906  -0.803710  -5.706621  -4.537945   0.282687  -1.336540
    20  C    0.349441  -0.167152  -2.766903  -0.233833  -0.952558   1.084052
    21  C    1.325591   0.001427   3.533386   4.557957  -0.789532  -3.232366
    22  C   -1.552495  -0.417294  -4.936695  -8.968665  -0.605550  -0.174882
    23  C    0.237136   0.048978  -5.265772   0.084293  -0.790960   0.249691
    24  C   -0.198794  -0.145608  -1.131744  -0.542937  -0.389612  -0.113161
    25  C    0.139176   0.085374   0.007761   0.128978  -0.313971  -0.115212
    26  C   -0.094126   0.113669  -2.334932  -0.571473   0.289811  -0.131874
    27  C    0.005437  -0.043284  -1.620804   0.069913   0.014814  -0.027585
    28  C    0.000340  -0.048458   0.804708  -0.038456  -0.034227   0.011473
    29  C   -0.340662  -0.167172   0.837482   0.493647  -0.148516   0.089935
    30  C   -0.818872  -0.231825   2.950100  -0.153872  -0.348696   0.215903
    31  H    0.178006   2.878003   0.105986   0.002859   0.021534   0.030636
    32  H   -0.017949  -3.932193  -0.003919   0.080335  -0.333549   0.581861
    33  H   -0.323522   0.085091   0.317655   0.793819  -4.649077   3.228211
    34  H    0.792242  -0.057107  -0.443342  -0.521997   3.357106  -4.869437
    35  H   -0.023234   0.001941  -0.453418  -0.656392   0.184003   0.028563
    36  H    0.053254  -0.008668   0.462077   1.254537  -0.097882  -0.403820
    37  H    0.010756  -0.002031   0.048438   0.039750  -0.023189  -0.002246
    38  H   -0.002317   0.001765   0.056728   0.012663   0.000089  -0.000082
    39  H    0.001281  -0.000939   0.032467   0.000573   0.000934  -0.000747
    40  H    0.001448  -0.000220  -0.008776  -0.002652  -0.000885   0.001054
    41  Br   0.032462  -0.033077   0.018265  -0.006141  -0.001309   0.012603
    42  H   -0.020136  -0.160957  -0.196527   0.115575   0.004064   0.000816
              19         20         21         22         23         24
     1  H    0.137577  -0.047563   0.029847  -0.019282  -0.402374  -0.158441
     2  C   -1.350005  -0.149308   0.658132  -0.663407  -1.542122  -0.187263
     3  C   -0.064427  -0.500396   0.227341  -0.322678   0.440226  -0.377489
     4  H    0.084551   0.010450   0.002143  -0.006051  -0.077748  -0.013852
     5  C    0.331572   0.163705   0.058933  -0.048510  -0.459708  -0.169235
     6  H    0.003313   0.005644   0.001403  -0.000376  -0.045304  -0.002264
     7  C    0.162729  -0.036114  -0.065605   0.049355   0.372669   0.011767
     8  H    0.001836  -0.000472  -0.000539   0.000334   0.023361   0.000056
     9  C    1.174652   0.027618  -0.377745   0.585264  -0.404327   0.262215
    10  C    0.198615   0.093684  -0.133120  -0.318088   0.118550   0.067907
    11  C   -1.829402  -0.444313  -0.259173  -0.579946   2.479143   0.216651
    12  C   -1.472324  -0.266212  -1.733174   1.219051  -1.242007  -0.928621
    13  C   -0.470906   0.349441   1.325591  -1.552495   0.237136  -0.198794
    14  C   -0.803710  -0.167152   0.001427  -0.417294   0.048978  -0.145608
    15  C   -5.706621  -2.766903   3.533386  -4.936695  -5.265772  -1.131744
    16  C   -4.537945  -0.233833   4.557957  -8.968665   0.084293  -0.542937
    17  C    0.282687  -0.952558  -0.789532  -0.605550  -0.790960  -0.389612
    18  C   -1.336540   1.084052  -3.232366  -0.174882   0.249691  -0.113161
    19  C   51.851159  -7.415370  -4.511638   2.464910 -10.101941  -7.106268
    20  C   -7.415370  26.257693  -7.680189   4.643505  -3.904464  -3.074278
    21  C   -4.511638  -7.680189  39.466703 -21.468585  -0.784089  -2.054429
    22  C    2.464910   4.643505 -21.468585  40.406885  -1.270990  -0.571472
    23  C  -10.101941  -3.904464  -0.784089  -1.270990  61.136539   2.971327
    24  C   -7.106268  -3.074278  -2.054429  -0.571472   2.971327  31.299993
    25  C    5.159272  -1.758389   1.701737  -2.760820  -5.430844 -12.143641
    26  C   -2.010111   2.305959  -1.129418   1.046724  -9.968892  -1.625666
    27  C   -0.827968  -0.469718   0.856820  -0.161765  -8.009085   4.489996
    28  C   -0.689920   0.127587  -0.402252   0.042215  -2.593845  -2.081547
    29  C   -0.832106  -0.251065   0.166792   0.003037  -0.731843   1.006694
    30  C   -4.981561  -0.126292  -1.438517   0.977940  -9.839725  -0.445763
    31  H   -0.028879  -0.000664  -0.000333  -0.000071   0.018681   0.001263
    32  H    0.086213   0.009386  -0.000962  -0.016529  -0.025038  -0.001712
    33  H   -0.019578   0.051834  -0.350385   0.099686   0.008995  -0.009880
    34  H    0.004241  -0.016309   0.020824   0.130875   0.002322   0.001216
    35  H    0.762014   1.307966  -5.187276   3.323739  -0.006101  -0.157335
    36  H   -0.315289  -0.473632   3.289980  -4.987996  -0.066727   0.132378
    37  H    0.501260  -0.062426   0.676152  -0.236315  -0.757366  -3.718166
    38  H   -0.754279   0.111486  -0.002166   0.001584  -0.150720   2.697190
    39  H    0.052962  -0.011448  -0.023407  -0.003470   0.805945  -0.537186
    40  H    0.063252   0.016333  -0.001594   0.000410  -0.270006   0.017924
    41  Br  -0.040822   0.007011  -0.003118   0.001469  -0.244203  -0.010849
    42  H   -0.238700  -0.069318  -0.053028   0.068931   0.900046   0.036382
              25         26         27         28         29         30
     1  H    0.041826   0.186413  -0.007603  -0.040523  -0.144369  -0.006977
     2  C    0.044465   0.311092  -0.361308  -0.070679   0.787521  -0.146886
     3  C    0.326854  -0.594931   0.354972  -0.394221   0.031568  -0.201880
     4  H    0.035729   0.023654   0.011599  -0.009212   0.033311   0.022687
     5  C    0.165389   0.379063  -0.331812   0.406573  -0.274457   0.305975
     6  H    0.001009   0.001179  -0.001286  -0.010362   0.003747   0.004079
     7  C   -0.040549  -0.249250   0.096164  -0.222524   0.150098  -0.553877
     8  H   -0.000055   0.000128   0.001428  -0.002069  -0.007139   0.029939
     9  C   -0.201493  -0.138025  -0.108775   0.318026  -0.222488   0.614950
    10  C   -0.085804  -0.054255   0.038995   0.057527   0.069944  -0.092088
    11  C   -0.254598  -0.127978  -0.149060   0.390606  -0.257944  -0.234279
    12  C    0.254687   1.315231   0.459469  -0.243203  -0.419253  -1.730099
    13  C    0.139176  -0.094126   0.005437   0.000340  -0.340662  -0.818872
    14  C    0.085374   0.113669  -0.043284  -0.048458  -0.167172  -0.231825
    15  C    0.007761  -2.334932  -1.620804   0.804708   0.837482   2.950100
    16  C    0.128978  -0.571473   0.069913  -0.038456   0.493647  -0.153872
    17  C   -0.313971   0.289811   0.014814  -0.034227  -0.148516  -0.348696
    18  C   -0.115212  -0.131874  -0.027585   0.011473   0.089935   0.215903
    19  C    5.159272  -2.010111  -0.827968  -0.689920  -0.832106  -4.981561
    20  C   -1.758389   2.305959  -0.469718   0.127587  -0.251065  -0.126292
    21  C    1.701737  -1.129418   0.856820  -0.402252   0.166792  -1.438517
    22  C   -2.760820   1.046724  -0.161765   0.042215   0.003037   0.977940
    23  C   -5.430844  -9.968892  -8.009085  -2.593845  -0.731843  -9.839725
    24  C  -12.143641  -1.625666   4.489996  -2.081547   1.006694  -0.445763
    25  C   31.846390  -3.906479  -5.398042   0.246603  -0.375697  -0.308112
    26  C   -3.906479  39.739420 -11.675963   3.882854  -8.190558  -2.975809
    27  C   -5.398042 -11.675963  48.808422 -17.491952   7.201079  -7.526460
    28  C    0.246603   3.882854 -17.491952  30.632867  -6.751862   0.730873
    29  C   -0.375697  -8.190558   7.201079  -6.751862  21.540249  -6.591781
    30  C   -0.308112  -2.975809  -7.526460   0.730873  -6.591781  38.644079
    31  H   -0.001288   0.004636   0.001763  -0.007737  -0.016306   0.001456
    32  H    0.002129  -0.005072  -0.000871   0.001389   0.012802  -0.006744
    33  H   -0.000265  -0.004848   0.000476  -0.000315  -0.000217   0.020693
    34  H   -0.001325   0.001732   0.000004  -0.000010   0.000684  -0.012665
    35  H   -0.422728  -0.017095  -0.013557  -0.005857   0.005717   0.046384
    36  H    0.011039   0.014265  -0.000662   0.001477  -0.004512   0.007007
    37  H    2.219474   0.115400  -0.019252   0.005215  -0.003694   0.011719
    38  H   -4.137774  -0.429854   1.534704  -0.067720   0.148013  -0.180836
    39  H    0.126393   3.342618  -6.363489   2.184100  -1.317387   0.337564
    40  H    0.127763  -0.758270   1.662298  -3.731025   1.394263   0.581002
    41  Br  -0.019025   0.131340  -0.193794   0.392020  -0.521153   0.432233
    42  H   -0.074365  -0.702115   0.029877   0.294184   0.809319  -2.845454
              31         32         33         34         35         36
     1  H   -0.003751   0.004671  -0.005979   0.002479  -0.004130  -0.001935
     2  C   -0.159774  -0.001788  -0.002553   0.044286  -0.019096   0.033806
     3  C    0.113664  -0.008754  -0.007961   0.008981  -0.002227  -0.000156
     4  H    0.005252  -0.001020  -0.000057   0.000035   0.000221  -0.000015
     5  C   -0.059225   0.007110   0.001279  -0.005203   0.000737   0.000213
     6  H   -0.007721   0.001316   0.000052  -0.000050   0.000008   0.000006
     7  C    1.036393   0.000961   0.003252  -0.023259  -0.000421   0.000068
     8  H   -0.241420   0.001107   0.000000  -0.000838  -0.000017  -0.000015
     9  C   -0.216201   0.157122   0.021774  -0.000586   0.001736  -0.008711
    10  C   -4.267629   2.413074   0.006986  -0.471670  -0.001288   0.000639
    11  C   -0.059811  -0.791858  -0.064537   0.043440   0.017352  -0.001076
    12  C   -0.750801   0.630744  -0.359860   0.758482   0.011807  -0.075286
    13  C    0.178006  -0.017949  -0.323522   0.792242  -0.023234   0.053254
    14  C    2.878003  -3.932193   0.085091  -0.057107   0.001941  -0.008668
    15  C    0.105986  -0.003919   0.317655  -0.443342  -0.453418   0.462077
    16  C    0.002859   0.080335   0.793819  -0.521997  -0.656392   1.254537
    17  C    0.021534  -0.333549  -4.649077   3.357106   0.184003  -0.097882
    18  C    0.030636   0.581861   3.228211  -4.869437   0.028563  -0.403820
    19  C   -0.028879   0.086213  -0.019578   0.004241   0.762014  -0.315289
    20  C   -0.000664   0.009386   0.051834  -0.016309   1.307966  -0.473632
    21  C   -0.000333  -0.000962  -0.350385   0.020824  -5.187276   3.289980
    22  C   -0.000071  -0.016529   0.099686   0.130875   3.323739  -4.987996
    23  C    0.018681  -0.025038   0.008995   0.002322  -0.006101  -0.066727
    24  C    0.001263  -0.001712  -0.009880   0.001216  -0.157335   0.132378
    25  C   -0.001288   0.002129  -0.000265  -0.001325  -0.422728   0.011039
    26  C    0.004636  -0.005072  -0.004848   0.001732  -0.017095   0.014265
    27  C    0.001763  -0.000871   0.000476   0.000004  -0.013557  -0.000662
    28  C   -0.007737   0.001389  -0.000315  -0.000010  -0.005857   0.001477
    29  C   -0.016306   0.012802  -0.000217   0.000684   0.005717  -0.004512
    30  C    0.001456  -0.006744   0.020693  -0.012665   0.046384   0.007007
    31  H    3.794252  -0.293241   0.001535   0.000172   0.000034   0.000028
    32  H   -0.293241   3.801935  -0.004731  -0.288439  -0.000119  -0.000004
    33  H    0.001535  -0.004731   3.796127  -0.258091   0.000580  -0.291475
    34  H    0.000172  -0.288439  -0.258091   3.902079   0.001514   0.001947
    35  H    0.000034  -0.000119   0.000580   0.001514   3.925985  -0.259455
    36  H    0.000028  -0.000004  -0.291475   0.001947  -0.259455   3.829212
    37  H   -0.000008   0.000016  -0.000553  -0.000100  -0.289724  -0.001809
    38  H    0.000027   0.000000   0.000072   0.000038   0.005250   0.000767
    39  H   -0.000067   0.000019   0.000002  -0.000027  -0.001513   0.000073
    40  H    0.000134  -0.000003  -0.000010   0.000008   0.000057   0.000014
    41  Br   0.000545  -0.001171  -0.000039   0.000178  -0.000061   0.000034
    42  H    0.004215   0.002765  -0.001353  -0.002271   0.001700  -0.006657
              37         38         39         40         41         42
     1  H   -0.002753   0.009718   0.004003   0.002689   0.003595  -0.033957
     2  C   -0.002074   0.001150   0.018730   0.016001   0.057763   0.091764
     3  C    0.018540  -0.018500  -0.006763  -0.001071  -0.050564  -0.066059
     4  H   -0.001069   0.002343  -0.003417   0.000286  -0.003455   0.010753
     5  C   -0.000597  -0.003455   0.001578  -0.006860   0.028305  -0.016231
     6  H   -0.000008  -0.000146   0.000070   0.000387   0.000792   0.000336
     7  C    0.000345   0.000866   0.001093   0.000641  -0.046644  -0.027315
     8  H    0.000028  -0.000031   0.000103  -0.000062   0.000045   0.006856
     9  C   -0.005070   0.003728   0.000135   0.000413   0.048499   0.206587
    10  C    0.001968  -0.001616   0.001042  -0.001054   0.050451   0.026688
    11  C   -0.032206   0.025335   0.018196  -0.056114  -0.139279  -0.416763
    12  C    0.082678  -0.023930  -0.008073   0.015919   0.075216   0.089332
    13  C    0.010756  -0.002317   0.001281   0.001448   0.032462  -0.020136
    14  C   -0.002031   0.001765  -0.000939  -0.000220  -0.033077  -0.160957
    15  C    0.048438   0.056728   0.032467  -0.008776   0.018265  -0.196527
    16  C    0.039750   0.012663   0.000573  -0.002652  -0.006141   0.115575
    17  C   -0.023189   0.000089   0.000934  -0.000885  -0.001309   0.004064
    18  C   -0.002246  -0.000082  -0.000747   0.001054   0.012603   0.000816
    19  C    0.501260  -0.754279   0.052962   0.063252  -0.040822  -0.238700
    20  C   -0.062426   0.111486  -0.011448   0.016333   0.007011  -0.069318
    21  C    0.676152  -0.002166  -0.023407  -0.001594  -0.003118  -0.053028
    22  C   -0.236315   0.001584  -0.003470   0.000410   0.001469   0.068931
    23  C   -0.757366  -0.150720   0.805945  -0.270006  -0.244203   0.900046
    24  C   -3.718166   2.697190  -0.537186   0.017924  -0.010849   0.036382
    25  C    2.219474  -4.137774   0.126393   0.127763  -0.019025  -0.074365
    26  C    0.115400  -0.429854   3.342618  -0.758270   0.131340  -0.702115
    27  C   -0.019252   1.534704  -6.363489   1.662298  -0.193794   0.029877
    28  C    0.005215  -0.067720   2.184100  -3.731025   0.392020   0.294184
    29  C   -0.003694   0.148013  -1.317387   1.394263  -0.521153   0.809319
    30  C    0.011719  -0.180836   0.337564   0.581002   0.432233  -2.845454
    31  H   -0.000008   0.000027  -0.000067   0.000134   0.000545   0.004215
    32  H    0.000016   0.000000   0.000019  -0.000003  -0.001171   0.002765
    33  H   -0.000553   0.000072   0.000002  -0.000010  -0.000039  -0.001353
    34  H   -0.000100   0.000038  -0.000027   0.000008   0.000178  -0.002271
    35  H   -0.289724   0.005250  -0.001513   0.000057  -0.000061   0.001700
    36  H   -0.001809   0.000767   0.000073   0.000014   0.000034  -0.006657
    37  H    3.781313  -0.305428   0.001706   0.000610   0.000014   0.003634
    38  H   -0.305428   3.794400  -0.254755  -0.006889  -0.000858  -0.000940
    39  H    0.001706  -0.254755   4.009367  -0.288628   0.011129  -0.002203
    40  H    0.000610  -0.006889  -0.288628   3.209708  -0.058175   0.001317
    41  Br   0.000014  -0.000858   0.011129  -0.058175  35.143204  -0.090011
    42  H    0.003634  -0.000940  -0.002203   0.001317  -0.090011   4.414469
 Mulliken charges:
               1
     1  H   -1.108562
     2  C    1.317341
     3  C   -0.171966
     4  H   -0.964658
     5  C    0.250625
     6  H   -0.880684
     7  C    1.301306
     8  H   -1.099583
     9  C    0.512011
    10  C    1.128198
    11  C    0.869515
    12  C    0.077927
    13  C    0.458196
    14  C    0.630729
    15  C   -0.349939
    16  C    0.428853
    17  C    0.881038
    18  C    0.964034
    19  C    0.123495
    20  C    0.305035
    21  C    1.107471
    22  C    1.026021
    23  C    0.488300
    24  C    0.684256
    25  C    1.078431
    26  C    0.491805
    27  C    1.165864
    28  C    0.407338
    29  C   -1.215721
    30  C    1.864486
    31  H   -1.086146
    32  H   -1.059288
    33  H   -1.082836
    34  H   -1.102160
    35  H   -1.106261
    36  H   -1.087037
    37  H   -1.052933
    38  H   -1.065621
    39  H   -1.128565
    40  H   -0.921640
    41  Br   0.016576
    42  H   -1.095249
 Sum of Mulliken charges =  -0.00000
 Mulliken charges with hydrogens summed into heavy atoms:
               1
     2  C    0.208779
     3  C   -1.136623
     5  C   -0.630059
     7  C    0.201723
     9  C    0.512011
    10  C    0.042052
    11  C    0.869515
    12  C    0.077927
    13  C    0.458196
    14  C   -0.428559
    15  C   -0.349939
    16  C    0.428853
    17  C   -0.201798
    18  C   -0.138126
    19  C    0.123495
    20  C    0.305035
    21  C    0.001209
    22  C   -0.061016
    23  C    0.488300
    24  C   -0.368677
    25  C    0.012810
    26  C    0.491805
    27  C    0.037299
    28  C   -0.514302
    29  C   -1.215721
    30  C    0.769238
    41  Br   0.016576
 Electronic spatial extent (au):  <R**2>=           9170.9071
 Charge=              0.0000 electrons
 Dipole moment (field-independent basis, Debye):
    X=             -1.4639    Y=              0.5658    Z=              0.7749  Tot=              1.7503
 Quadrupole moment (field-independent basis, Debye-Ang):
   XX=           -158.3239   YY=           -151.3703   ZZ=           -170.8380
   XY=             -2.0757   XZ=              7.7093   YZ=              8.1705
 Traceless Quadrupole moment (field-independent basis, Debye-Ang):
   XX=              1.8535   YY=              8.8071   ZZ=            -10.6606
   XY=             -2.0757   XZ=              7.7093   YZ=              8.1705
 Octapole moment (field-independent basis, Debye-Ang**2):
  XXX=             63.5949  YYY=             18.2626  ZZZ=            -39.0385  XYY=             45.4174
  XXY=              6.8902  XXZ=            -17.7929  XZZ=             50.0805  YZZ=             -0.1658
  YYZ=            -17.5396  XYZ=            -15.7068
 Hexadecapole moment (field-independent basis, Debye-Ang**3):
 XXXX=          -5335.3635 YYYY=          -4584.1449 ZZZZ=          -1644.6313 XXXY=            -34.7188
 XXXZ=            -43.7735 YYYX=             -6.8313 YYYZ=            156.2489 ZZZX=           -122.7394
 ZZZY=             19.5110 XXYY=          -1624.3208 XXZZ=          -1210.5541 YYZZ=          -1126.5693
 XXYZ=             42.2692 YYXZ=            -16.2385 ZZXY=              9.1032
 N-N= 2.775508918898D+03 E-N=-1.402108068589D+04  KE= 3.565163000280D+03
 No NMR shielding tensors so no spin-rotation constants.
 Leave Link  601 at Sat Jul 17 02:13:19 2021, MaxMem=  6442450944 cpu:               6.1 elap:               1.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l716.exe)
 Electric field and nuclear coordinate derivatives read from checkpoint file.
 Rotating derivatives to standard orientation.
 Dipole        =-5.57213074D-01 2.19256303D-01 3.03059924D-01
 Polarizability= 4.08146991D+02-1.87080107D+01 3.73842522D+02
                 4.12699117D+01 4.43260150D+01 2.21766771D+02
 Translational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 2     -0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 3      0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 4      0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 5     -0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 6      0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 Translational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0003    0.0000      -25.0849  -25.0830       -9.3723   -9.3595
 2     25.0829   25.0830      -21.0440  -21.0420      -15.2715  -15.2815
 3      9.3735    9.3595      110.7752  110.7830       21.0242   21.0420
 4     21.0437   21.0420       -0.0001    0.0000        9.3728    9.3595
 5    -95.5055  -95.5014       -9.3733   -9.3595      -25.0952  -25.0830
 6    -21.0247  -21.0420       25.0937   25.0830       -0.0003    0.0000
 Translational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000       75.2491   75.2491      -28.0785  -28.0785
 2     63.1261   63.1261       -0.0000    0.0000      -28.0785  -28.0785
 3     63.1261   63.1261       75.2491   75.2491       -0.0000    0.0000
 4     75.2491   75.2491      -63.1261  -63.1261      -45.8446  -45.8446
 5     28.0785   28.0785      332.3489  332.3489       63.1261   63.1261
 6   -286.5043 -286.5043      -28.0785  -28.0785      -75.2491  -75.2491
 Rotational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0407    0.0000      100.3893  100.3321       37.5956   37.4381
 2   -100.3577 -100.3321       84.2988   84.1681       60.9837   61.1261
 3    -37.4415  -37.4381     -442.9046 -443.1319      -83.5689  -84.1681
 4    -84.6541  -84.1681       -0.2760    0.0000      -37.1333  -37.4381
 5    382.8369  382.0057       37.1698   37.4381      100.5165  100.3321
 6     83.7344   84.1681     -100.0619 -100.3321        0.1299    0.0000
 Rotational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.4087    0.0000      336.3348  333.1450      189.4842  191.7586
 2   -336.2005 -333.1450      775.1076  776.5032      645.0019  646.1477
 3   -189.4767 -191.7586    -1035.9339-1039.1099     -772.4910 -776.5032
 4   -774.7887 -776.5032       -1.2646    0.0000     -190.2446 -191.7586
 5    395.4861  392.9622      196.1541  191.7586      337.1377  333.1450
 6    780.0281  776.5032     -342.0993 -333.1450       -0.7757    0.0000
 Rotational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1   -241.6104 -241.1366     -314.1409 -313.8366     -264.9019 -264.6833
 2   -456.7928 -457.5082     -157.4327 -157.5107     -263.9949 -264.6833
 3   -457.2413 -457.5082     -314.2714 -313.8366     -328.6731 -328.1505
 4   -156.2270 -156.3259      216.1355  216.3716      252.0698  253.4961
 5    -62.6268  -63.4672     -409.5410 -408.9714     -216.2828 -216.3716
 6    155.8768  155.4752       62.0252   63.4672      156.3456  156.3259
 Full mass-weighted force constant matrix:
 Low frequencies ---   -0.0060   -0.0048    0.0025    2.3449    3.5803    4.6462
 Low frequencies ---   31.2184   49.5315   55.0044
 Diagonal vibrational polarizability:
        8.4768510       6.5698066      16.0660510
 Harmonic frequencies (cm**-1), IR intensities (KM/Mole), Raman scattering
 activities (A**4/AMU), depolarization ratios for plane and unpolarized
 incident light, reduced masses (AMU), force constants (mDyne/A),
 Raman invariants Alpha2 = alpha**2, Beta2 = beta(alpha)**2 (A**4/AMU)
 ROA invariants AlphaG = alphaG', Gamma2 = beta(G')**2, Delta2 = beta(A)**2, (10**4 A**5/AMU)
 Far-From-Resonance Raman intensities (K), ROA intensites (10**4 K), CID=(ROA/Raman)*10**4
    Raman1;ROA1;CID1 =ICPu/SCPu(180), Raman2;ROA2;CID2 =ICPd/SCPd(90)
    Raman3;ROA3;CID3 =DCPI(180) RC180 = degree of circularity
 and normal coordinates:
 Incident light (cm**-1):   18796.99
                      1                      2                      3
                      A                      A                      A
 Frequencies --     31.2174                49.5313                55.0043
 Red. masses --      8.8014                 6.2034                 6.2240
 Frc consts  --      0.0051                 0.0090                 0.0111
 IR Inten    --      0.0449                 0.1345                 0.0498
 RamAct Fr= 1--      7.9963                12.2904                 8.3979
  Dep-P Fr= 1--      0.6988                 0.5202                 0.7175
  Dep-U Fr= 1--      0.8227                 0.6844                 0.8355
 Alpha2 Fr= 1--      0.0071                 0.0550                 0.0047
 Beta2  Fr= 1--      1.0964                 1.4019                 1.1694
 AlphaG Fr= 1--     -0.1219                -0.0484                 0.0370
 Gamma2 Fr= 1--     -7.1366                -6.4508                -6.3574
 Delta2 Fr= 1--     -2.6484                -0.3919                -2.9425
 Raman1 Fr= 1--      31.985                 49.162                 33.592
 ROA1   Fr= 1--    -769.861               -631.815               -704.472
 CID1   Fr= 1--     -24.069                -12.852                -20.972
 Raman2 Fr= 1--      13.157                 16.823                 14.033
 ROA2   Fr= 1--    -150.091               -151.683               -129.038
 CID2   Fr= 1--     -11.408                 -9.016                 -9.195
 Raman3 Fr= 1--      26.313                 33.646                 28.066
 ROA3   Fr= 1--    -769.861               -631.815               -704.472
 CID3   Fr= 1--     -29.257                -18.778                -25.101
 RC180  Fr= 1--       0.645                  0.369                  0.671
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   1     0.05  -0.00  -0.03    -0.12   0.01   0.05     0.09   0.05  -0.08
     2   6     0.07   0.02  -0.09    -0.07   0.06   0.03     0.07   0.02  -0.08
     3   6     0.14   0.06  -0.17    -0.04   0.13   0.00     0.12   0.05  -0.14
     4   1     0.18   0.06  -0.18    -0.08   0.13   0.01     0.18   0.10  -0.19
     5   6     0.18   0.10  -0.26     0.03   0.21  -0.04     0.08   0.02  -0.13
     6   1     0.24   0.13  -0.33     0.06   0.27  -0.07     0.12   0.04  -0.18
     7   6     0.14   0.10  -0.25     0.07   0.20  -0.04    -0.01  -0.05  -0.04
     8   1     0.16   0.12  -0.31     0.13   0.25  -0.06    -0.04  -0.08  -0.02
     9   6     0.07   0.06  -0.16     0.05   0.12  -0.00    -0.06  -0.07   0.02
    10   6     0.03   0.05  -0.14     0.08   0.11   0.00    -0.15  -0.13   0.12
    11   6     0.03   0.03  -0.08    -0.01   0.07   0.02    -0.01  -0.03  -0.02
    12   6    -0.02   0.01  -0.02    -0.01   0.02   0.01    -0.04  -0.04   0.01
    13   6    -0.04   0.01  -0.00     0.03   0.01   0.02    -0.11  -0.07   0.10
    14   6    -0.02   0.02  -0.06     0.07   0.05   0.02    -0.17  -0.13   0.17
    15   6    -0.04   0.01   0.01    -0.01   0.00  -0.02    -0.01  -0.02  -0.04
    16   6    -0.05  -0.01   0.06     0.00   0.00  -0.06    -0.02   0.00  -0.04
    17   6    -0.07  -0.02   0.10     0.03  -0.01  -0.05    -0.07  -0.02   0.03
    18   6    -0.07  -0.01   0.07     0.04  -0.01  -0.01    -0.11  -0.07   0.11
    19   6    -0.04   0.01  -0.03    -0.01  -0.01  -0.01     0.00  -0.01  -0.05
    20   6    -0.04   0.02  -0.03    -0.00   0.00  -0.03     0.01  -0.00  -0.08
    21   6    -0.04   0.00   0.03     0.00   0.01  -0.09     0.01   0.03  -0.12
    22   6    -0.05  -0.01   0.07     0.01   0.02  -0.11     0.01   0.02  -0.11
    23   6    -0.04   0.02  -0.04    -0.01  -0.03   0.03     0.01  -0.02  -0.00
    24   6    -0.04   0.03  -0.06     0.02  -0.02   0.04     0.00  -0.02  -0.03
    25   6    -0.04   0.03  -0.08     0.03  -0.07   0.14    -0.00  -0.04   0.05
    26   6    -0.04   0.02  -0.06     0.02  -0.08   0.13     0.00  -0.04   0.07
    27   6    -0.03   0.01  -0.03     0.05  -0.14   0.22     0.01  -0.04   0.14
    28   6    -0.02  -0.02   0.03     0.03  -0.14   0.18     0.02  -0.02   0.13
    29   6    -0.02  -0.02   0.04    -0.01  -0.08   0.05     0.03   0.01   0.04
    30   6    -0.03   0.01  -0.01    -0.03  -0.03  -0.02     0.03   0.01  -0.01
    31   1     0.05   0.07  -0.20     0.12   0.14  -0.01    -0.19  -0.17   0.17
    32   1    -0.04   0.02  -0.04     0.11   0.03   0.03    -0.24  -0.16   0.25
    33   1    -0.09  -0.03   0.15     0.04  -0.03  -0.08    -0.07   0.00   0.03
    34   1    -0.09  -0.02   0.09     0.06  -0.02   0.00    -0.15  -0.09   0.18
    35   1    -0.04   0.01   0.03     0.00   0.02  -0.12     0.02   0.04  -0.16
    36   1    -0.06  -0.02   0.11     0.02   0.03  -0.15     0.01   0.03  -0.13
    37   1    -0.04   0.03  -0.07     0.03  -0.01   0.04    -0.00  -0.01  -0.05
    38   1    -0.04   0.04  -0.10     0.04  -0.10   0.21    -0.00  -0.05   0.10
    39   1    -0.03   0.01  -0.04     0.08  -0.18   0.31    -0.00  -0.06   0.21
    40   1    -0.01  -0.03   0.08     0.04  -0.18   0.24     0.02  -0.02   0.18
    41  35     0.01  -0.09   0.18    -0.06  -0.06  -0.06     0.06   0.10  -0.02
    42   1    -0.03   0.01  -0.01    -0.07   0.02  -0.11     0.03   0.02  -0.05
                      4                      5                      6
                      A                      A                      A
 Frequencies --     85.2523                94.2722               105.8558
 Red. masses --      5.5643                 6.4684                 4.5085
 Frc consts  --      0.0238                 0.0339                 0.0298
 IR Inten    --      0.0303                 0.6045                 0.7770
 RamAct Fr= 1--      2.9307                11.0914                 0.4049
  Dep-P Fr= 1--      0.7418                 0.7247                 0.7231
  Dep-U Fr= 1--      0.8517                 0.8404                 0.8393
 Alpha2 Fr= 1--      0.0004                 0.0048                 0.0002
 Beta2  Fr= 1--      0.4160                 1.5535                 0.0566
 AlphaG Fr= 1--     -0.0143                 0.0015                 0.0035
 Gamma2 Fr= 1--    -15.5999                 7.0592                -0.1290
 Delta2 Fr= 1--     -3.6029                 2.5372                -0.1846
 Raman1 Fr= 1--      11.723                 44.365                  1.620
 ROA1   Fr= 1--   -1612.879                758.876                -18.294
 CID1   Fr= 1--    -137.584                 17.105                -11.294
 Raman2 Fr= 1--       4.992                 18.642                  0.680
 ROA2   Fr= 1--    -345.574                149.123                 -1.619
 CID2   Fr= 1--     -69.220                  7.999                 -2.382
 Raman3 Fr= 1--       9.985                 37.285                  1.360
 ROA3   Fr= 1--   -1612.879                758.876                -18.294
 CID3   Fr= 1--    -161.533                 20.353                -13.456
 RC180  Fr= 1--       0.703                  0.681                  0.679
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   1    -0.14  -0.10   0.09    -0.16   0.05  -0.11     0.20   0.18  -0.21
     2   6    -0.10  -0.07   0.07    -0.13   0.07  -0.08     0.13   0.10  -0.13
     3   6    -0.14  -0.10   0.11    -0.15   0.13  -0.05     0.06   0.04  -0.05
     4   1    -0.20  -0.16   0.18    -0.19   0.14  -0.06     0.08   0.07  -0.09
     5   6    -0.09  -0.04   0.05    -0.12   0.15  -0.00    -0.05  -0.09   0.10
     6   1    -0.11  -0.07   0.09    -0.13   0.19   0.02    -0.12  -0.16   0.19
     7   6     0.01   0.03  -0.05    -0.07   0.11   0.02    -0.08  -0.10   0.12
     8   1     0.05   0.08  -0.10    -0.05   0.13   0.07    -0.16  -0.18   0.22
     9   6     0.03   0.05  -0.07    -0.05   0.06  -0.00     0.01  -0.02   0.02
    10   6     0.07   0.09  -0.15    -0.04   0.03   0.03     0.01  -0.02   0.03
    11   6    -0.03  -0.00  -0.00    -0.06   0.04  -0.06     0.08   0.06  -0.08
    12   6    -0.03  -0.00   0.01    -0.03   0.00  -0.09     0.08   0.05  -0.09
    13   6    -0.03  -0.00   0.02    -0.04  -0.02  -0.05     0.06   0.04  -0.05
    14   6     0.04   0.05  -0.09    -0.03  -0.01   0.01     0.04   0.02  -0.03
    15   6    -0.04  -0.01   0.03    -0.02  -0.01  -0.09     0.03   0.03  -0.06
    16   6    -0.06  -0.03   0.11    -0.05  -0.02   0.00     0.00  -0.02   0.05
    17   6    -0.10  -0.06   0.21    -0.05  -0.02   0.01     0.00  -0.03   0.08
    18   6    -0.09  -0.05   0.14    -0.05  -0.02  -0.02     0.03   0.00   0.01
    19   6    -0.00  -0.01  -0.03     0.01  -0.03  -0.07    -0.01   0.04  -0.10
    20   6     0.01   0.02  -0.10     0.01  -0.06   0.09    -0.02   0.02  -0.05
    21   6    -0.00   0.03  -0.06    -0.01  -0.06   0.21    -0.03  -0.03   0.06
    22   6    -0.05  -0.01   0.07    -0.05  -0.03   0.15    -0.03  -0.05   0.12
    23   6     0.02  -0.04  -0.00     0.01  -0.03  -0.11    -0.02   0.06  -0.11
    24   6     0.02   0.04  -0.18     0.03  -0.09   0.19    -0.02   0.03  -0.06
    25   6     0.02   0.01  -0.12     0.04  -0.10   0.11    -0.02   0.02  -0.03
    26   6     0.02  -0.04  -0.01     0.02  -0.06  -0.04    -0.01   0.02  -0.01
    27   6     0.03  -0.06   0.07     0.01  -0.04  -0.05     0.01  -0.05   0.14
    28   6     0.04  -0.06   0.10     0.01  -0.02  -0.07     0.02  -0.07   0.17
    29   6     0.04  -0.04   0.05     0.03  -0.02  -0.09    -0.01   0.01   0.01
    30   6     0.03  -0.04   0.02     0.02  -0.02  -0.14    -0.03   0.07  -0.13
    31   1     0.13   0.14  -0.23    -0.04   0.03   0.07    -0.03  -0.06   0.08
    32   1     0.06   0.07  -0.12    -0.01  -0.04   0.05     0.03   0.02  -0.03
    33   1    -0.14  -0.09   0.30    -0.07  -0.03   0.05    -0.02  -0.07   0.16
    34   1    -0.12  -0.06   0.18    -0.07  -0.02  -0.01     0.03  -0.01   0.04
    35   1     0.02   0.06  -0.11    -0.01  -0.09   0.34    -0.05  -0.05   0.11
    36   1    -0.06  -0.02   0.13    -0.08  -0.02   0.23    -0.05  -0.10   0.22
    37   1     0.02   0.07  -0.26     0.05  -0.12   0.33    -0.02   0.03  -0.06
    38   1     0.03   0.02  -0.16     0.06  -0.13   0.18    -0.03   0.01   0.00
    39   1     0.02  -0.06   0.09     0.01  -0.06  -0.01     0.04  -0.09   0.24
    40   1     0.04  -0.07   0.14     0.01  -0.02  -0.06     0.04  -0.13   0.30
    41  35     0.07   0.05  -0.04     0.12   0.01   0.02    -0.03  -0.01   0.00
    42   1     0.04  -0.04   0.00     0.03  -0.01  -0.15    -0.06   0.12  -0.22
                      7                      8                      9
                      A                      A                      A
 Frequencies --    132.9327               171.6393               193.4434
 Red. masses --      4.7831                 5.7294                 4.7327
 Frc consts  --      0.0498                 0.0994                 0.1043
 IR Inten    --      0.4082                 0.8018                 0.7538
 RamAct Fr= 1--      0.4221                 5.2386                 4.3537
  Dep-P Fr= 1--      0.7427                 0.7178                 0.6165
  Dep-U Fr= 1--      0.8523                 0.8357                 0.7627
 Alpha2 Fr= 1--      0.0001                 0.0029                 0.0107
 Beta2  Fr= 1--      0.0600                 0.7297                 0.5535
 AlphaG Fr= 1--     -0.0066                 0.0268                -0.1127
 Gamma2 Fr= 1--     -1.1546                 1.3682                 0.1852
 Delta2 Fr= 1--     -0.6338                -0.7933                -0.7698
 Raman1 Fr= 1--       1.688                 20.954                 17.415
 ROA1   Fr= 1--    -131.121                105.958                 -6.855
 CID1   Fr= 1--     -77.655                  5.057                 -0.394
 Raman2 Fr= 1--       0.720                  8.756                  6.641
 ROA2   Fr= 1--     -22.639                 39.182                 10.603
 CID2   Fr= 1--     -31.462                  4.475                  1.596
 Raman3 Fr= 1--       1.439                 17.512                 13.283
 ROA3   Fr= 1--    -131.121                105.958                 -6.855
 CID3   Fr= 1--     -91.109                  6.051                 -0.516
 RC180  Fr= 1--       0.705                  0.671                  0.525
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   1     0.06   0.03  -0.05     0.21   0.15   0.04     0.06  -0.02   0.14
     2   6     0.04   0.01  -0.03     0.13   0.08   0.05     0.05  -0.03   0.09
     3   6    -0.03  -0.06   0.05     0.18   0.05  -0.02    -0.00  -0.16   0.17
     4   1    -0.07  -0.11   0.10     0.31   0.12  -0.10    -0.06  -0.28   0.29
     5   6    -0.05  -0.09   0.08     0.07  -0.06   0.03     0.04  -0.10   0.05
     6   1    -0.11  -0.16   0.16     0.09  -0.11   0.01     0.02  -0.17   0.08
     7   6     0.01  -0.02   0.00    -0.05  -0.09   0.09     0.11   0.04  -0.11
     8   1    -0.01  -0.04   0.01    -0.13  -0.15   0.09     0.14   0.07  -0.22
     9   6     0.06   0.04  -0.06    -0.05   0.00   0.08     0.08   0.08  -0.06
    10   6     0.06   0.04  -0.07     0.01   0.09  -0.04    -0.00   0.02   0.03
    11   6     0.06   0.04  -0.06    -0.02   0.03   0.11     0.06   0.06   0.01
    12   6     0.03   0.02  -0.04    -0.06   0.03   0.12     0.00   0.05   0.04
    13   6    -0.01  -0.02   0.06     0.01   0.08   0.01    -0.03   0.01   0.11
    14   6     0.02   0.00   0.01     0.06   0.14  -0.12    -0.08  -0.03   0.17
    15   6     0.02   0.01  -0.06    -0.10  -0.00   0.11    -0.01   0.03  -0.02
    16   6     0.02   0.01  -0.04    -0.08   0.00   0.05     0.01   0.04  -0.08
    17   6    -0.04  -0.05   0.13    -0.03   0.02  -0.00     0.04   0.07  -0.14
    18   6    -0.07  -0.08   0.19     0.03   0.08  -0.04     0.02   0.03   0.00
    19   6     0.01   0.02  -0.05    -0.08  -0.02   0.04    -0.04   0.03  -0.03
    20   6     0.01   0.01  -0.03    -0.07   0.01  -0.02    -0.05   0.01   0.04
    21   6     0.03   0.04  -0.16    -0.06   0.05  -0.11    -0.05  -0.02   0.09
    22   6     0.04   0.04  -0.17    -0.06   0.03  -0.07    -0.02   0.02  -0.02
    23   6     0.00   0.04  -0.04    -0.06  -0.08  -0.02    -0.05   0.02  -0.11
    24   6     0.01  -0.04   0.15    -0.03  -0.02   0.03    -0.04   0.01   0.01
    25   6     0.01  -0.05   0.20    -0.02  -0.09   0.07    -0.03   0.01  -0.06
    26   6     0.00   0.01   0.04    -0.05  -0.09   0.01    -0.04   0.00  -0.08
    27   6    -0.01   0.05  -0.04    -0.05  -0.10  -0.03    -0.02  -0.06   0.01
    28   6    -0.02   0.08  -0.12    -0.07  -0.09  -0.08    -0.03  -0.09   0.06
    29   6    -0.02   0.07  -0.10    -0.07  -0.09  -0.08    -0.05  -0.04  -0.06
    30   6    -0.01   0.07  -0.09    -0.08  -0.09  -0.07    -0.07   0.02  -0.17
    31   1     0.08   0.06  -0.11     0.04   0.12  -0.11    -0.02   0.01   0.04
    32   1    -0.01  -0.01   0.04     0.14   0.21  -0.26    -0.16  -0.08   0.28
    33   1    -0.07  -0.08   0.21    -0.01  -0.00  -0.05     0.08   0.09  -0.25
    34   1    -0.12  -0.14   0.32     0.10   0.10  -0.12     0.05   0.02   0.01
    35   1     0.03   0.06  -0.22    -0.04   0.08  -0.20    -0.07  -0.06   0.18
    36   1     0.06   0.06  -0.23    -0.04   0.05  -0.16    -0.01   0.01  -0.03
    37   1     0.00  -0.08   0.25    -0.01   0.01   0.04    -0.03   0.01   0.05
    38   1     0.00  -0.10   0.33     0.02  -0.11   0.12    -0.01   0.01  -0.07
    39   1    -0.01   0.04  -0.02    -0.03  -0.11  -0.02     0.01  -0.09   0.08
    40   1    -0.03   0.10  -0.17    -0.08  -0.09  -0.10    -0.01  -0.15   0.17
    41  35    -0.02  -0.02   0.03     0.09   0.01   0.00     0.03   0.01   0.00
    42   1    -0.01   0.07  -0.09    -0.09  -0.09  -0.06    -0.11   0.05  -0.23
                     10                     11                     12
                      A                      A                      A
 Frequencies --    229.5002               261.4071               272.6638
 Red. masses --      4.9411                 6.1723                 5.5048
 Frc consts  --      0.1533                 0.2485                 0.2411
 IR Inten    --      0.0428                 1.6672                 0.5831
 RamAct Fr= 1--      0.7904                 0.6363                 9.0286
  Dep-P Fr= 1--      0.4944                 0.2651                 0.0858
  Dep-U Fr= 1--      0.6616                 0.4190                 0.1580
 Alpha2 Fr= 1--      0.0040                 0.0072                 0.1637
 Beta2  Fr= 1--      0.0872                 0.0444                 0.2378
 AlphaG Fr= 1--     -0.1074                 0.1284                -0.4178
 Gamma2 Fr= 1--      0.0407                -0.4910                10.4319
 Delta2 Fr= 1--     -0.1806                -1.0750                 0.6914
 Raman1 Fr= 1--       3.162                  2.545                 36.114
 ROA1   Fr= 1--      -1.872                -81.537               1023.586
 CID1   Fr= 1--      -0.592                -32.036                 28.343
 Raman2 Fr= 1--       1.046                  0.533                  2.853
 ROA2   Fr= 1--       2.422                 -3.184                244.834
 CID2   Fr= 1--       2.316                 -5.970                 85.816
 Raman3 Fr= 1--       2.092                  1.067                  5.706
 ROA3   Fr= 1--      -1.872                -81.537               1023.586
 CID3   Fr= 1--      -0.895                -76.452                179.387
 RC180  Fr= 1--       0.323                 -0.162                 -0.684
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   1     0.11   0.13  -0.11     0.14   0.14  -0.04    -0.09  -0.11   0.18
     2   6     0.07   0.09  -0.08     0.09   0.09  -0.05    -0.08  -0.09   0.14
     3   6     0.05   0.07  -0.06     0.02  -0.03   0.04     0.01  -0.05   0.04
     4   1     0.09   0.11  -0.11    -0.00  -0.09   0.10     0.05  -0.05   0.04
     5   6    -0.05  -0.03   0.06    -0.02  -0.07   0.05     0.09   0.04  -0.09
     6   1    -0.11  -0.10   0.13    -0.08  -0.17   0.12     0.21   0.14  -0.24
     7   6    -0.06  -0.03   0.05     0.01   0.03  -0.06    -0.00  -0.02  -0.01
     8   1    -0.11  -0.08   0.11    -0.02   0.00  -0.08     0.03   0.01  -0.08
     9   6     0.01   0.05  -0.03     0.03   0.11  -0.08    -0.08  -0.08   0.10
    10   6     0.06   0.09  -0.11    -0.05   0.04   0.04    -0.05  -0.05   0.06
    11   6     0.01   0.04  -0.03     0.05   0.12  -0.08    -0.07  -0.05   0.10
    12   6    -0.03  -0.00   0.01     0.02   0.08  -0.06     0.02   0.03  -0.00
    13   6    -0.06  -0.04   0.08    -0.00   0.06  -0.01     0.06   0.06  -0.07
    14   6     0.02   0.03  -0.02    -0.07   0.01   0.09     0.04   0.05  -0.08
    15   6    -0.00  -0.01  -0.04    -0.03   0.04  -0.05     0.03   0.04  -0.04
    16   6     0.03   0.03  -0.15    -0.06  -0.02   0.01     0.01   0.00   0.00
    17   6    -0.01   0.01  -0.06    -0.02  -0.01  -0.03    -0.02  -0.04   0.12
    18   6    -0.08  -0.07   0.13     0.02   0.04  -0.05     0.02   0.01   0.02
    19   6     0.00  -0.02   0.06    -0.04   0.02  -0.04    -0.00   0.06  -0.07
    20   6    -0.01  -0.06   0.16    -0.07  -0.00  -0.11    -0.05   0.00   0.01
    21   6    -0.01  -0.05   0.11    -0.08  -0.03  -0.03    -0.04  -0.01  -0.04
    22   6     0.03   0.04  -0.14    -0.10  -0.08   0.08     0.00  -0.01  -0.07
    23   6    -0.00  -0.01   0.03     0.01  -0.01   0.13    -0.02   0.12  -0.10
    24   6    -0.03  -0.04   0.11    -0.10  -0.02  -0.04    -0.10  -0.03   0.16
    25   6    -0.03   0.05  -0.14    -0.10  -0.04   0.10    -0.10   0.06   0.01
    26   6    -0.02   0.04  -0.11    -0.05  -0.01   0.13    -0.07   0.14  -0.12
    27   6    -0.01   0.02  -0.08    -0.06   0.06   0.01    -0.04   0.09  -0.02
    28   6     0.02  -0.05   0.12    -0.01   0.12  -0.04     0.02   0.02   0.16
    29   6     0.04  -0.08   0.17     0.09   0.02   0.12     0.06   0.03   0.08
    30   6     0.03  -0.06   0.14     0.10  -0.02   0.25     0.03   0.10  -0.02
    31   1     0.13   0.15  -0.20    -0.10  -0.01   0.13    -0.07  -0.06   0.09
    32   1     0.05   0.04  -0.06    -0.14  -0.05   0.21     0.06   0.09  -0.16
    33   1    -0.01   0.02  -0.08    -0.01  -0.03  -0.04    -0.06  -0.09   0.25
    34   1    -0.12  -0.12   0.24     0.07   0.04  -0.07     0.01  -0.01   0.07
    35   1    -0.02  -0.07   0.18    -0.09  -0.04  -0.00    -0.06  -0.03  -0.06
    36   1     0.05   0.09  -0.24    -0.12  -0.14   0.19     0.02  -0.03  -0.12
    37   1    -0.03  -0.07   0.18    -0.11  -0.02  -0.06    -0.12  -0.12   0.35
    38   1    -0.03   0.09  -0.27    -0.14  -0.05   0.16    -0.14   0.04   0.09
    39   1    -0.03   0.05  -0.16    -0.10   0.10  -0.08    -0.03   0.08  -0.00
    40   1     0.03  -0.07   0.17    -0.07   0.27  -0.18     0.02   0.00   0.33
    41  35     0.01   0.00  -0.03     0.07  -0.08  -0.06     0.06  -0.06  -0.05
    42   1     0.04  -0.07   0.16     0.14  -0.05   0.30     0.01   0.10  -0.03
                     13                     14                     15
                      A                      A                      A
 Frequencies --    278.7402               289.9738               320.8722
 Red. masses --      5.1786                 6.6874                 4.5038
 Frc consts  --      0.2371                 0.3313                 0.2732
 IR Inten    --      0.6724                 1.4681                 0.5168
 RamAct Fr= 1--      8.2940                 3.6419                 5.9299
  Dep-P Fr= 1--      0.1237                 0.6001                 0.2985
  Dep-U Fr= 1--      0.2202                 0.7500                 0.4597
 Alpha2 Fr= 1--      0.1370                 0.0101                 0.0611
 Beta2  Fr= 1--      0.3044                 0.4553                 0.4543
 AlphaG Fr= 1--     -0.6007                -0.0422                -0.0662
 Gamma2 Fr= 1--      3.2425                 0.5100                 4.2226
 Delta2 Fr= 1--     -3.1689                -0.2451                 0.7911
 Raman1 Fr= 1--      33.176                 14.568                 23.720
 ROA1   Fr= 1--     209.874                 41.116                430.685
 CID1   Fr= 1--       6.326                  2.822                 18.157
 Raman2 Fr= 1--       3.653                  5.463                  5.452
 ROA2   Fr= 1--     103.171                 14.200                 95.014
 CID2   Fr= 1--      28.241                  2.599                 17.427
 Raman3 Fr= 1--       7.306                 10.926                 10.904
 ROA3   Fr= 1--     209.874                 41.116                430.685
 CID3   Fr= 1--      28.725                  3.763                 39.498
 RC180  Fr= 1--      -0.560                  0.500                 -0.081
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   1     0.04   0.05   0.15    -0.10  -0.09  -0.13     0.02   0.04  -0.13
     2   6    -0.00   0.01   0.12    -0.05  -0.03  -0.09     0.02   0.03  -0.08
     3   6     0.10   0.01   0.01    -0.06   0.06  -0.08    -0.03   0.04  -0.03
     4   1     0.21   0.06  -0.04    -0.09   0.10  -0.12    -0.05   0.05  -0.04
     5   6     0.04  -0.04  -0.01    -0.07   0.04   0.00    -0.08  -0.02   0.06
     6   1     0.09  -0.05  -0.07    -0.11   0.07   0.05    -0.15  -0.07   0.15
     7   6    -0.06  -0.04   0.02    -0.01  -0.01   0.04     0.02   0.02  -0.01
     8   1    -0.09  -0.06  -0.04    -0.00  -0.01   0.14     0.04   0.03   0.03
     9   6    -0.08   0.02   0.06     0.04  -0.06  -0.03     0.06   0.01  -0.06
    10   6     0.02   0.12  -0.10     0.06  -0.04  -0.06     0.03   0.01  -0.06
    11   6    -0.10  -0.00   0.14     0.02  -0.07  -0.05     0.02  -0.03  -0.01
    12   6    -0.10  -0.03   0.12    -0.01  -0.06   0.03    -0.07  -0.09   0.11
    13   6    -0.11  -0.04   0.12    -0.02  -0.07   0.05    -0.07  -0.07   0.07
    14   6    -0.01   0.05  -0.04     0.02  -0.05  -0.00    -0.04  -0.05   0.05
    15   6     0.00  -0.02  -0.06     0.01  -0.02   0.13    -0.05  -0.06   0.18
    16   6     0.00  -0.02  -0.11     0.05   0.02   0.02    -0.06  -0.05   0.20
    17   6    -0.02  -0.00  -0.12     0.05   0.04  -0.03     0.01   0.03  -0.04
    18   6    -0.06  -0.05   0.03    -0.02  -0.04   0.05     0.02   0.05  -0.13
    19   6     0.05  -0.02  -0.11    -0.02   0.01   0.20     0.02  -0.05   0.02
    20   6     0.04  -0.05  -0.09    -0.05   0.02   0.13     0.03  -0.03  -0.03
    21   6     0.01  -0.10   0.10    -0.03   0.00   0.03     0.03   0.04  -0.13
    22   6    -0.02  -0.06   0.05     0.04   0.02  -0.06    -0.03  -0.01   0.03
    23   6     0.06   0.02  -0.05    -0.04   0.08   0.11     0.02   0.02  -0.09
    24   6     0.01  -0.04  -0.10    -0.09   0.11  -0.09     0.01  -0.07   0.08
    25   6    -0.00  -0.04   0.02    -0.11   0.14  -0.02    -0.00  -0.02   0.02
    26   6     0.04  -0.00   0.05    -0.06   0.07   0.16    -0.01   0.05  -0.13
    27   6     0.03   0.04   0.11    -0.04   0.01   0.16    -0.01   0.07  -0.05
    28   6     0.06   0.15  -0.02    -0.07   0.05  -0.03     0.06   0.04   0.13
    29   6     0.08   0.16  -0.08    -0.04   0.10  -0.18     0.08   0.07   0.05
    30   6     0.09   0.10  -0.07    -0.08   0.14  -0.09     0.06   0.07  -0.06
    31   1     0.14   0.24  -0.27     0.08  -0.02  -0.13     0.05   0.04  -0.12
    32   1     0.08   0.11  -0.16     0.02  -0.04  -0.02    -0.04  -0.06   0.07
    33   1     0.01   0.04  -0.19     0.07   0.10  -0.11     0.07   0.13  -0.24
    34   1    -0.02  -0.06   0.03    -0.07  -0.03   0.05     0.09   0.17  -0.38
    35   1     0.00  -0.14   0.28    -0.04  -0.00  -0.05     0.09   0.13  -0.30
    36   1    -0.05  -0.09   0.18     0.08   0.03  -0.18    -0.01   0.03  -0.06
    37   1    -0.00  -0.05  -0.14    -0.12   0.14  -0.32    -0.01  -0.13   0.22
    38   1    -0.04  -0.04   0.06    -0.14   0.20  -0.18    -0.02  -0.05   0.13
    39   1    -0.01   0.01   0.22     0.03  -0.04   0.26    -0.06   0.07  -0.02
    40   1     0.05   0.19  -0.01    -0.07   0.08   0.00     0.08   0.02   0.28
    41  35    -0.02  -0.02   0.00     0.10  -0.08  -0.03    -0.01  -0.01  -0.01
    42   1     0.15   0.07  -0.04    -0.15   0.16  -0.10     0.11   0.06  -0.07
                     16                     17                     18
                      A                      A                      A
 Frequencies --    337.5360               381.6756               415.6942
 Red. masses --      4.7187                 5.2936                 6.4502
 Frc consts  --      0.3167                 0.4544                 0.6567
 IR Inten    --      0.1115                 1.5314                 0.7206
 RamAct Fr= 1--     11.4157                 3.6025                68.7227
  Dep-P Fr= 1--      0.3849                 0.5038                 0.0619
  Dep-U Fr= 1--      0.5559                 0.6701                 0.1166
 Alpha2 Fr= 1--      0.0892                 0.0175                 1.3194
 Beta2  Fr= 1--      1.0576                 0.4023                 1.3355
 AlphaG Fr= 1--      0.2374                -0.0766                -4.1771
 Gamma2 Fr= 1--      3.4751                 0.1723                31.0915
 Delta2 Fr= 1--     -1.4475                -2.1306                 4.4665
 Raman1 Fr= 1--      45.663                 14.410                274.891
 ROA1   Fr= 1--     287.295                -51.636               3127.707
 CID1   Fr= 1--       6.292                 -3.583                 11.378
 Raman2 Fr= 1--      12.691                  4.828                 16.026
 ROA2   Fr= 1--      94.983                 21.180                710.463
 CID2   Fr= 1--       7.484                  4.387                 44.333
 Raman3 Fr= 1--      25.382                  9.656                 32.051
 ROA3   Fr= 1--     287.295                -51.636               3127.707
 CID3   Fr= 1--      11.319                 -5.348                 97.585
 RC180  Fr= 1--       0.112                  0.340                 -0.767
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   1     0.09   0.12   0.07    -0.05  -0.16  -0.07    -0.10   0.02   0.04
     2   6     0.05   0.09   0.02     0.02  -0.11  -0.03    -0.06   0.05   0.04
     3   6     0.01  -0.03   0.07    -0.02   0.01   0.02    -0.03   0.06  -0.01
     4   1     0.00  -0.10   0.14    -0.13   0.04   0.01     0.04   0.04  -0.00
     5   6     0.01  -0.03  -0.00     0.07   0.09   0.07    -0.09   0.01  -0.08
     6   1     0.01  -0.09  -0.01     0.07   0.19   0.08    -0.08  -0.03  -0.09
     7   6    -0.01   0.05  -0.07     0.13   0.01   0.13    -0.10  -0.02  -0.05
     8   1    -0.03   0.04  -0.14     0.18   0.04   0.21    -0.11  -0.03  -0.00
     9   6    -0.06   0.09  -0.01     0.14  -0.10   0.06    -0.06   0.02  -0.07
    10   6    -0.12   0.02   0.10     0.04  -0.07   0.02    -0.09   0.04  -0.10
    11   6     0.00   0.12  -0.02     0.11  -0.09  -0.04     0.02   0.04   0.04
    12   6     0.01   0.04  -0.04     0.04  -0.01  -0.03     0.10   0.05   0.04
    13   6     0.03   0.08  -0.12    -0.01   0.03  -0.03    -0.00   0.09   0.05
    14   6    -0.03   0.05  -0.04     0.04   0.04  -0.03    -0.13   0.03  -0.00
    15   6    -0.05  -0.04   0.04    -0.01  -0.01  -0.01     0.20   0.03   0.05
    16   6    -0.05  -0.05   0.03    -0.05   0.14  -0.02     0.23   0.06   0.08
    17   6    -0.07  -0.06   0.09    -0.07   0.16  -0.00     0.11   0.15   0.09
    18   6    -0.00   0.02  -0.05    -0.09   0.12   0.05     0.03   0.12   0.06
    19   6     0.03  -0.10   0.13    -0.00  -0.05  -0.08     0.13  -0.03   0.01
    20   6     0.03  -0.13   0.17    -0.00  -0.04  -0.02     0.08  -0.09  -0.05
    21   6     0.04  -0.06  -0.00    -0.03   0.09   0.08     0.12  -0.07  -0.01
    22   6     0.01   0.01  -0.13    -0.06   0.15  -0.03     0.19  -0.06   0.02
    23   6     0.04  -0.08   0.04     0.01  -0.11  -0.08     0.05  -0.05  -0.03
    24   6     0.01  -0.08  -0.01    -0.04  -0.06  -0.04    -0.09  -0.09  -0.07
    25   6     0.01  -0.03  -0.16    -0.04  -0.11  -0.05    -0.12  -0.09   0.02
    26   6     0.02  -0.06   0.00    -0.07  -0.13  -0.04    -0.10  -0.06  -0.00
    27   6     0.01  -0.01   0.08    -0.12  -0.03   0.06    -0.14  -0.02  -0.02
    28   6     0.05   0.08   0.02    -0.04   0.11   0.01    -0.13  -0.03   0.03
    29   6     0.05   0.13  -0.10     0.06   0.08   0.00    -0.02  -0.06   0.01
    30   6     0.07   0.05  -0.07     0.10  -0.05   0.01     0.01  -0.08  -0.05
    31   1    -0.19  -0.05   0.27    -0.03  -0.14  -0.03    -0.09   0.04  -0.14
    32   1    -0.03   0.01   0.01     0.06   0.06  -0.07    -0.24   0.04   0.02
    33   1    -0.11  -0.12   0.19    -0.07   0.16  -0.01     0.08   0.27   0.13
    34   1     0.03   0.00  -0.03    -0.19   0.11   0.10    -0.00   0.13   0.06
    35   1     0.09   0.02  -0.12     0.03   0.13   0.20     0.12  -0.07  -0.01
    36   1     0.05   0.12  -0.33    -0.05   0.17  -0.07     0.22  -0.17   0.00
    37   1     0.01  -0.05  -0.13    -0.04  -0.06  -0.05    -0.15  -0.16  -0.14
    38   1    -0.01   0.05  -0.38     0.01  -0.12  -0.07    -0.13  -0.10   0.06
    39   1    -0.05  -0.03   0.17    -0.24  -0.04   0.15    -0.16  -0.00  -0.06
    40   1     0.05   0.10   0.08    -0.08   0.22   0.04    -0.15   0.02   0.04
    41  35    -0.02  -0.01   0.01    -0.01  -0.01  -0.00    -0.01  -0.00  -0.00
    42   1     0.15   0.04  -0.08     0.24  -0.10   0.05    -0.01  -0.06  -0.08
                     19                     20                     21
                      A                      A                      A
 Frequencies --    429.2723               437.9534               443.7107
 Red. masses --      3.9897                 3.6532                 5.3199
 Frc consts  --      0.4332                 0.4128                 0.6171
 IR Inten    --      0.4676                 2.8741                 1.6001
 RamAct Fr= 1--      8.8206                 2.6558                 3.4452
  Dep-P Fr= 1--      0.3869                 0.6461                 0.5407
  Dep-U Fr= 1--      0.5580                 0.7850                 0.7019
 Alpha2 Fr= 1--      0.0684                 0.0050                 0.0139
 Beta2  Fr= 1--      0.8203                 0.3475                 0.4031
 AlphaG Fr= 1--      0.0894                 0.1805                -0.1424
 Gamma2 Fr= 1--     -1.0206                -0.1492                -4.8569
 Delta2 Fr= 1--     -1.2784                -0.0080                -3.2156
 Raman1 Fr= 1--      35.283                 10.623                 13.781
 ROA1   Fr= 1--    -138.885                -14.574               -569.164
 CID1   Fr= 1--      -3.936                 -1.372                -41.301
 Raman2 Fr= 1--       9.843                  4.170                  4.837
 ROA2   Fr= 1--     -14.268                 -3.516                -90.841
 CID2   Fr= 1--      -1.449                 -0.843                -18.782
 Raman3 Fr= 1--      19.687                  8.339                  9.673
 ROA3   Fr= 1--    -138.885                -14.574               -569.164
 CID3   Fr= 1--      -7.055                 -1.748                -58.839
 RC180  Fr= 1--       0.116                  0.570                  0.404
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   1    -0.24  -0.21   0.22     0.14   0.20  -0.22    -0.06  -0.08  -0.12
     2   6    -0.14  -0.10   0.10     0.04   0.09  -0.09    -0.00  -0.02  -0.06
     3   6     0.03   0.02  -0.11    -0.05  -0.02   0.00    -0.08   0.01   0.01
     4   1     0.13   0.06  -0.16    -0.03  -0.03   0.01    -0.15  -0.01   0.04
     5   6    -0.01  -0.02  -0.10    -0.09  -0.05  -0.01    -0.03   0.06  -0.02
     6   1    -0.01  -0.02  -0.10    -0.10  -0.07   0.00    -0.03   0.12  -0.03
     7   6    -0.13  -0.13   0.05     0.02   0.05  -0.13     0.03  -0.00   0.01
     8   1    -0.28  -0.27   0.20     0.13   0.16  -0.25     0.09   0.04   0.08
     9   6     0.02   0.06  -0.09    -0.07  -0.05   0.01     0.04  -0.10  -0.00
    10   6     0.10   0.04  -0.06     0.00  -0.07   0.02    -0.07  -0.08  -0.03
    11   6    -0.01   0.04  -0.03    -0.06  -0.04   0.06     0.09  -0.04  -0.03
    12   6     0.04   0.08  -0.05    -0.03  -0.02   0.09     0.03   0.07   0.08
    13   6     0.09   0.03   0.05     0.05  -0.02   0.05    -0.02   0.12   0.08
    14   6    -0.01  -0.06   0.15     0.04  -0.02  -0.04    -0.06   0.12  -0.05
    15   6    -0.04   0.05  -0.01     0.01   0.02   0.03     0.01   0.05   0.11
    16   6    -0.05   0.02   0.05     0.03   0.01   0.02     0.04   0.01   0.01
    17   6     0.08  -0.01   0.03     0.07  -0.01   0.05     0.03   0.06  -0.02
    18   6     0.13   0.03   0.03     0.08   0.01   0.02     0.00   0.06   0.09
    19   6    -0.04   0.03  -0.01    -0.01   0.05  -0.10    -0.03   0.05   0.03
    20   6    -0.06   0.02   0.04    -0.02   0.04  -0.00    -0.16  -0.07  -0.03
    21   6    -0.07   0.03  -0.03    -0.02   0.01   0.03    -0.20  -0.14  -0.01
    22   6    -0.07   0.02  -0.01     0.03   0.02  -0.03    -0.08  -0.13  -0.09
    23   6    -0.00  -0.05  -0.02    -0.02   0.02  -0.11     0.03   0.05   0.03
    24   6    -0.00  -0.01   0.06    -0.01   0.02   0.07    -0.02  -0.11  -0.03
    25   6     0.03  -0.03  -0.08     0.00   0.03  -0.06     0.01  -0.10  -0.02
    26   6     0.01  -0.05  -0.05    -0.02   0.01  -0.08     0.14   0.03   0.01
    27   6     0.02  -0.04   0.06     0.01  -0.09   0.17     0.20   0.00  -0.03
    28   6     0.04   0.05  -0.02    -0.03   0.04  -0.09     0.16  -0.04  -0.05
    29   6     0.03   0.06  -0.05    -0.01   0.03  -0.08     0.04  -0.01  -0.01
    30   6     0.06  -0.02   0.03     0.04  -0.09   0.14     0.01   0.04   0.01
    31   1     0.13   0.06  -0.03     0.04  -0.02   0.01    -0.16  -0.15  -0.10
    32   1    -0.15  -0.13   0.31     0.04   0.04  -0.13    -0.14   0.21  -0.16
    33   1     0.11  -0.09  -0.02     0.08  -0.03   0.03     0.05   0.09  -0.07
    34   1     0.15   0.03   0.02     0.09   0.03  -0.03     0.05   0.03   0.13
    35   1    -0.06   0.06  -0.09    -0.05  -0.02   0.07    -0.24  -0.19   0.03
    36   1    -0.05   0.02  -0.07     0.04   0.01  -0.07    -0.03  -0.25  -0.18
    37   1     0.05   0.04   0.12    -0.00  -0.00   0.19     0.05  -0.03   0.02
    38   1     0.06  -0.02  -0.15     0.04   0.01  -0.03    -0.11  -0.08   0.01
    39   1    -0.03  -0.07   0.17     0.04  -0.19   0.43     0.25   0.00  -0.05
    40   1     0.03   0.06  -0.00    -0.03   0.06  -0.11     0.19  -0.12  -0.10
    41  35    -0.01   0.00   0.00    -0.00   0.00   0.00    -0.01   0.02   0.01
    42   1     0.14  -0.06   0.08     0.12  -0.21   0.37    -0.01   0.05  -0.01
                     22                     23                     24
                      A                      A                      A
 Frequencies --    446.3126               484.3024               495.1203
 Red. masses --      4.4477                 3.7316                 4.9061
 Frc consts  --      0.5220                 0.5157                 0.7086
 IR Inten    --      0.7696                 0.3737                 0.1571
 RamAct Fr= 1--      3.1990                 3.7432                 0.6280
  Dep-P Fr= 1--      0.1265                 0.6213                 0.4964
  Dep-U Fr= 1--      0.2245                 0.7664                 0.6635
 Alpha2 Fr= 1--      0.0525                 0.0088                 0.0032
 Beta2  Fr= 1--      0.1197                 0.4781                 0.0694
 AlphaG Fr= 1--     -0.1339                 0.0294                -0.0259
 Gamma2 Fr= 1--      1.2086                -0.5170                -0.4428
 Delta2 Fr= 1--     -0.9706                -2.4265                -0.0114
 Raman1 Fr= 1--      12.796                 14.973                  2.512
 ROA1   Fr= 1--      84.963               -127.283                -42.874
 CID1   Fr= 1--       6.640                 -8.501                -17.067
 Raman2 Fr= 1--       1.437                  5.737                  0.833
 ROA2   Fr= 1--      36.771                  7.003                -10.535
 CID2   Fr= 1--      25.598                  1.221                -12.642
 Raman3 Fr= 1--       2.873                 11.475                  1.667
 ROA3   Fr= 1--      84.963               -127.283                -42.874
 CID3   Fr= 1--      29.573                -11.092                -25.724
 RC180  Fr= 1--      -0.551                  0.533                  0.327
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   1     0.03   0.10  -0.07     0.01   0.02  -0.03    -0.10  -0.14  -0.01
     2   6    -0.01   0.07  -0.05    -0.02  -0.02   0.02    -0.01  -0.06  -0.00
     3   6    -0.06  -0.05  -0.01     0.05   0.06  -0.06    -0.02   0.03  -0.01
     4   1    -0.04  -0.11   0.04     0.13   0.15  -0.16    -0.07   0.03  -0.00
     5   6    -0.06  -0.04  -0.09    -0.06  -0.06   0.07    -0.00   0.05   0.01
     6   1    -0.04  -0.04  -0.13    -0.13  -0.12   0.16    -0.03   0.06   0.05
     7   6    -0.06  -0.01  -0.11     0.04   0.02  -0.04     0.03  -0.02   0.05
     8   1    -0.04   0.02  -0.18     0.06   0.04  -0.04     0.03  -0.04   0.18
     9   6    -0.10  -0.02   0.00     0.05   0.02  -0.05     0.09  -0.03  -0.04
    10   6     0.01  -0.08   0.07     0.04  -0.00  -0.03    -0.08  -0.01  -0.05
    11   6    -0.03   0.04  -0.02    -0.07  -0.08   0.09     0.08  -0.02  -0.03
    12   6    -0.01   0.02   0.04    -0.05  -0.04   0.07    -0.01   0.06   0.07
    13   6     0.11  -0.02   0.06     0.04   0.01  -0.06    -0.06   0.13   0.02
    14   6     0.11  -0.02  -0.06    -0.02  -0.06   0.07    -0.12   0.14   0.00
    15   6    -0.07  -0.00   0.10     0.00   0.00  -0.01    -0.04   0.01   0.07
    16   6    -0.03   0.04  -0.03    -0.01   0.04  -0.02     0.03  -0.16  -0.04
    17   6     0.12   0.00  -0.05    -0.04  -0.03   0.18    -0.06  -0.17  -0.03
    18   6     0.10  -0.04   0.16     0.06   0.08  -0.12     0.02  -0.07  -0.06
    19   6    -0.04  -0.01   0.06     0.00   0.02  -0.08    -0.06   0.06  -0.01
    20   6    -0.02   0.05  -0.00    -0.02  -0.03   0.02     0.02   0.14   0.05
    21   6    -0.04   0.04   0.08    -0.05  -0.04   0.15     0.07  -0.08   0.05
    22   6    -0.03   0.06  -0.01     0.01   0.07  -0.16     0.14  -0.08  -0.06
    23   6    -0.01  -0.07  -0.03     0.00   0.04  -0.04    -0.04  -0.05  -0.11
    24   6     0.03   0.07  -0.10    -0.00  -0.00  -0.10     0.05   0.20   0.01
    25   6     0.05  -0.09   0.09    -0.01  -0.03   0.06     0.09   0.03   0.06
    26   6    -0.01  -0.10   0.02     0.03  -0.00   0.09    -0.05  -0.08  -0.04
    27   6    -0.08   0.05  -0.12     0.03   0.04  -0.04    -0.09  -0.03   0.01
    28   6     0.02   0.06   0.09     0.01  -0.00  -0.01    -0.03   0.07   0.01
    29   6     0.06   0.03   0.11     0.02  -0.05   0.09     0.03   0.03   0.06
    30   6     0.04   0.04  -0.11    -0.02   0.03  -0.04     0.04  -0.03   0.00
    31   1     0.05  -0.05   0.17     0.03  -0.02  -0.00    -0.22  -0.12  -0.11
    32   1     0.11   0.04  -0.14    -0.09  -0.13   0.19    -0.22   0.16   0.01
    33   1     0.17  -0.07  -0.15    -0.10  -0.12   0.35    -0.07  -0.17   0.00
    34   1     0.07  -0.09   0.25     0.06   0.12  -0.20     0.20  -0.12  -0.05
    35   1    -0.04   0.03   0.14    -0.06  -0.08   0.30    -0.06  -0.20   0.04
    36   1    -0.03   0.09  -0.02     0.04   0.11  -0.30     0.14   0.00  -0.09
    37   1     0.07   0.15  -0.21    -0.00   0.04  -0.23     0.10   0.27  -0.02
    38   1     0.13  -0.13   0.15    -0.05  -0.01   0.05     0.28  -0.03   0.10
    39   1    -0.21   0.14  -0.28     0.03   0.09  -0.18    -0.18  -0.02   0.05
    40   1     0.00   0.12   0.11     0.00   0.02  -0.13    -0.06   0.15   0.01
    41  35    -0.00  -0.01  -0.01    -0.00   0.00  -0.00    -0.00  -0.01  -0.00
    42   1     0.09   0.09  -0.25    -0.06   0.07  -0.11     0.14  -0.06   0.03
                     25                     26                     27
                      A                      A                      A
 Frequencies --    522.2632               527.7929               539.7651
 Red. masses --      3.8141                 4.3240                 3.5163
 Frc consts  --      0.6129                 0.7097                 0.6036
 IR Inten    --      7.5938                 8.3409                26.6497
 RamAct Fr= 1--      4.8147                10.8053                 1.2307
  Dep-P Fr= 1--      0.1064                 0.0665                 0.5661
  Dep-U Fr= 1--      0.1924                 0.1247                 0.7230
 Alpha2 Fr= 1--      0.0830                 0.2052                 0.0043
 Beta2  Fr= 1--      0.1544                 0.2245                 0.1483
 AlphaG Fr= 1--     -0.4633                -0.1305                 0.0876
 Gamma2 Fr= 1--      1.0479                 3.8529                -1.6993
 Delta2 Fr= 1--      0.9712                -0.1485                -0.4025
 Raman1 Fr= 1--      19.259                 43.221                  4.923
 ROA1   Fr= 1--     131.679                365.128               -176.015
 CID1   Fr= 1--       6.837                  8.448                -35.755
 Raman2 Fr= 1--       1.853                  2.694                  1.779
 ROA2   Fr= 1--      17.380                 93.659                -37.564
 CID2   Fr= 1--       9.380                 34.767                -21.110
 Raman3 Fr= 1--       3.706                  5.388                  3.559
 ROA3   Fr= 1--     131.679                365.128               -176.015
 CID3   Fr= 1--      35.534                 67.770                -49.456
 RC180  Fr= 1--      -0.615                 -0.751                  0.446
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   1    -0.17  -0.14   0.17    -0.02  -0.01  -0.15     0.08   0.07  -0.03
     2   6    -0.06  -0.03   0.01    -0.01  -0.01  -0.10     0.05   0.05  -0.04
     3   6    -0.02  -0.06  -0.05    -0.08  -0.06  -0.04    -0.06  -0.09   0.08
     4   1    -0.08  -0.15   0.05    -0.12  -0.09  -0.01    -0.14  -0.19   0.19
     5   6     0.04   0.00  -0.08    -0.02   0.01  -0.06     0.10   0.06  -0.08
     6   1     0.01   0.00  -0.03    -0.01   0.10  -0.08     0.21   0.17  -0.22
     7   6    -0.04  -0.07   0.04     0.03  -0.05  -0.01    -0.06  -0.03   0.06
     8   1    -0.20  -0.22   0.16     0.07  -0.02  -0.01    -0.06  -0.03   0.00
     9   6     0.05   0.10  -0.05     0.00  -0.08   0.04    -0.08  -0.02   0.10
    10   6    -0.02   0.03   0.12     0.03  -0.03   0.01     0.04   0.07  -0.03
    11   6     0.06   0.10  -0.11     0.03  -0.02  -0.02     0.03   0.06  -0.07
    12   6    -0.05  -0.03   0.04    -0.04   0.08   0.09     0.02  -0.02  -0.07
    13   6    -0.00  -0.01  -0.01     0.01   0.10   0.18    -0.08  -0.10   0.06
    14   6     0.08   0.06  -0.03     0.01   0.12   0.06     0.00  -0.05   0.03
    15   6    -0.06  -0.05   0.14    -0.05   0.02  -0.10     0.04   0.01  -0.02
    16   6    -0.04  -0.01   0.04    -0.12  -0.03  -0.01     0.02  -0.03   0.14
    17   6    -0.01   0.01  -0.03    -0.03  -0.08   0.01     0.01   0.02   0.04
    18   6    -0.02  -0.02   0.03     0.13   0.07   0.01    -0.03  -0.01  -0.08
    19   6     0.05  -0.04  -0.04     0.06  -0.03  -0.12    -0.01   0.05  -0.07
    20   6     0.08  -0.06  -0.06     0.12  -0.07   0.00    -0.05   0.00   0.11
    21   6     0.06  -0.05   0.11     0.13   0.01  -0.01    -0.05  -0.01   0.02
    22   6     0.01   0.05  -0.08    -0.06   0.04   0.01     0.04  -0.00  -0.06
    23   6    -0.00   0.10  -0.10     0.05  -0.01   0.09    -0.02   0.03  -0.09
    24   6     0.00  -0.04  -0.10     0.02  -0.08   0.06    -0.02   0.04  -0.01
    25   6    -0.04   0.04   0.10    -0.03   0.08  -0.08     0.01  -0.01  -0.01
    26   6    -0.01   0.12  -0.05    -0.00   0.01   0.13     0.02  -0.04   0.08
    27   6     0.04  -0.00   0.05    -0.03   0.03   0.00     0.01  -0.02   0.03
    28   6    -0.03  -0.04  -0.05    -0.07  -0.02   0.00     0.00   0.03  -0.07
    29   6    -0.02  -0.05   0.00    -0.03  -0.04   0.02     0.04  -0.06   0.14
    30   6    -0.02  -0.02   0.08    -0.04   0.02  -0.05     0.01   0.00  -0.03
    31   1    -0.10  -0.05   0.31     0.04  -0.02  -0.15     0.18   0.20  -0.19
    32   1     0.13   0.03  -0.01    -0.03   0.24  -0.10     0.13  -0.01  -0.07
    33   1     0.03   0.03  -0.13     0.02  -0.21  -0.07     0.04   0.15  -0.08
    34   1    -0.01  -0.00  -0.01     0.33   0.08  -0.10    -0.01   0.10  -0.30
    35   1     0.11  -0.02   0.21     0.22   0.09   0.03    -0.06  -0.00  -0.13
    36   1     0.02   0.16  -0.19    -0.10   0.18   0.06     0.10   0.02  -0.28
    37   1    -0.08  -0.14  -0.08    -0.06  -0.16   0.02     0.02   0.12  -0.14
    38   1    -0.13  -0.01   0.30    -0.10   0.17  -0.29     0.02   0.02  -0.14
    39   1     0.15  -0.06   0.16    -0.00   0.09  -0.17    -0.01   0.02  -0.07
    40   1    -0.02  -0.07  -0.07    -0.08   0.01  -0.10    -0.03   0.13  -0.28
    41  35    -0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00   0.00  -0.00
    42   1    -0.05  -0.07   0.21    -0.14   0.09  -0.18     0.01   0.04  -0.11
                     28                     29                     30
                      A                      A                      A
 Frequencies --    544.7328               575.3028               588.1071
 Red. masses --      6.1560                 3.3634                 3.9451
 Frc consts  --      1.0763                 0.6559                 0.8039
 IR Inten    --      1.4138                 0.2650                10.1792
 RamAct Fr= 1--      9.7563                 5.7687                 5.5383
  Dep-P Fr= 1--      0.2060                 0.1328                 0.1568
  Dep-U Fr= 1--      0.3416                 0.2345                 0.2711
 Alpha2 Fr= 1--      0.1304                 0.0931                 0.0841
 Beta2  Fr= 1--      0.5554                 0.2255                 0.2503
 AlphaG Fr= 1--     -0.1371                -1.9713                -0.7450
 Gamma2 Fr= 1--      0.6583                -1.0061                 1.6125
 Delta2 Fr= 1--      0.1967                 1.1870                 0.6873
 Raman1 Fr= 1--      39.025                 23.075                 22.153
 ROA1   Fr= 1--      69.495                -58.607                176.796
 CID1   Fr= 1--       1.781                 -2.540                  7.981
 Raman2 Fr= 1--       6.665                  2.706                  3.003
 ROA2   Fr= 1--      14.227                -33.643                 33.202
 CID2   Fr= 1--       2.135                -12.435                 11.055
 Raman3 Fr= 1--      13.329                  5.411                  6.007
 ROA3   Fr= 1--      69.495                -58.607                176.796
 CID3   Fr= 1--       5.214                -10.831                 29.433
 RC180  Fr= 1--      -0.317                 -0.531                 -0.458
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   1    -0.00  -0.06   0.13     0.15   0.13  -0.17    -0.07  -0.07   0.07
     2   6     0.12   0.04   0.16     0.05   0.03  -0.07     0.03   0.03  -0.03
     3   6     0.06   0.17   0.25    -0.05  -0.06   0.05    -0.03  -0.04   0.03
     4   1     0.03   0.09   0.33    -0.08  -0.05   0.04    -0.15  -0.18   0.18
     5   6    -0.01   0.14  -0.01     0.03   0.04  -0.03     0.04   0.04  -0.07
     6   1     0.08  -0.03  -0.12     0.14   0.16  -0.16     0.03   0.02  -0.06
     7   6    -0.16   0.08   0.03    -0.02  -0.02   0.04    -0.05  -0.03   0.04
     8   1    -0.13   0.08   0.22     0.08   0.08  -0.08    -0.16  -0.13   0.15
     9   6    -0.03  -0.08  -0.16    -0.07  -0.08   0.09     0.01   0.04  -0.03
    10   6    -0.05  -0.20  -0.19     0.07   0.05  -0.10    -0.00  -0.00   0.03
    11   6     0.14   0.07   0.00    -0.02  -0.03   0.01     0.06   0.07  -0.08
    12   6     0.07  -0.01   0.03     0.04   0.06  -0.08    -0.08  -0.07   0.11
    13   6     0.07  -0.04   0.03     0.02   0.05   0.00    -0.05  -0.08   0.06
    14   6    -0.09  -0.20  -0.14    -0.06  -0.02   0.12     0.03  -0.03  -0.03
    15   6    -0.05  -0.07  -0.01    -0.03   0.00  -0.02     0.03  -0.00  -0.01
    16   6    -0.10  -0.02  -0.01    -0.05  -0.00  -0.04     0.08   0.04  -0.06
    17   6    -0.01  -0.04  -0.02    -0.03  -0.04   0.03    -0.01  -0.01   0.14
    18   6     0.08   0.02   0.04     0.05   0.04  -0.03     0.02   0.03  -0.11
    19   6    -0.01  -0.05  -0.06     0.01  -0.04   0.12    -0.03   0.03  -0.04
    20   6     0.04  -0.03  -0.02     0.03  -0.03   0.01    -0.04   0.08  -0.14
    21   6     0.02   0.03   0.04     0.03  -0.02   0.04    -0.06  -0.00   0.05
    22   6    -0.06   0.07  -0.02    -0.03   0.03  -0.03     0.05   0.02  -0.06
    23   6    -0.03   0.03  -0.01    -0.00   0.01   0.00     0.01  -0.08   0.18
    24   6     0.04  -0.02  -0.01     0.00   0.01  -0.13     0.01   0.02   0.05
    25   6     0.01   0.05   0.00    -0.01  -0.03   0.13     0.03  -0.01  -0.04
    26   6    -0.00   0.04   0.02    -0.02   0.06  -0.12    -0.00  -0.04  -0.01
    27   6     0.01   0.01   0.02     0.00   0.01  -0.06    -0.03   0.02  -0.07
    28   6    -0.02   0.00  -0.02     0.02  -0.04   0.05     0.01  -0.02   0.10
    29   6    -0.02  -0.01   0.03    -0.02   0.05  -0.13    -0.04   0.09  -0.15
    30   6    -0.03   0.02   0.03     0.01  -0.02   0.08    -0.00  -0.01   0.04
    31   1    -0.05  -0.20  -0.15     0.16   0.14  -0.30     0.03   0.02   0.05
    32   1    -0.26  -0.15  -0.15    -0.11  -0.01   0.13     0.13   0.00  -0.11
    33   1     0.03  -0.16  -0.09    -0.05  -0.14   0.10    -0.05   0.01   0.23
    34   1     0.12   0.02   0.01     0.08   0.01   0.01     0.03   0.13  -0.30
    35   1     0.07   0.08   0.09     0.06   0.02   0.05    -0.16  -0.15   0.33
    36   1    -0.08   0.16  -0.04    -0.04   0.10  -0.05     0.04  -0.12   0.09
    37   1     0.01  -0.07   0.00    -0.02  -0.00  -0.18     0.05   0.01   0.24
    38   1    -0.02   0.06   0.01    -0.03  -0.10   0.34     0.08  -0.04  -0.01
    39   1     0.04   0.01   0.02     0.05  -0.07   0.13    -0.08   0.03  -0.08
    40   1    -0.02   0.00  -0.08     0.06  -0.16   0.32     0.04  -0.10   0.31
    41  35     0.01  -0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00   0.00
    42   1    -0.06   0.03   0.02     0.05  -0.11   0.26     0.00   0.01   0.00
                     31                     32                     33
                      A                      A                      A
 Frequencies --    612.1256               627.9108               641.7888
 Red. masses --      7.2577                 4.2248                 5.0546
 Frc consts  --      1.6022                 0.9814                 1.2267
 IR Inten    --      8.8726                 0.4857                17.7752
 RamAct Fr= 1--      7.2604                 0.8895                 1.1631
  Dep-P Fr= 1--      0.1225                 0.4399                 0.3319
  Dep-U Fr= 1--      0.2183                 0.6110                 0.4984
 Alpha2 Fr= 1--      0.1203                 0.0057                 0.0108
 Beta2  Fr= 1--      0.2642                 0.0906                 0.0966
 AlphaG Fr= 1--     -0.5725                -0.0130                -0.0290
 Gamma2 Fr= 1--      2.7034                 0.0222                -3.5648
 Delta2 Fr= 1--     -0.4025                -0.1069                 0.1177
 Raman1 Fr= 1--      29.041                  3.558                  4.652
 ROA1   Fr= 1--     246.648                 -1.292               -338.455
 CID1   Fr= 1--       8.493                 -0.363                -72.748
 Raman2 Fr= 1--       3.170                  1.087                  1.159
 ROA2   Fr= 1--      68.103                  1.387                -86.497
 CID2   Fr= 1--      21.484                  1.276                -74.611
 Raman3 Fr= 1--       6.340                  2.174                  2.319
 ROA3   Fr= 1--     246.648                 -1.292               -338.455
 CID3   Fr= 1--      38.905                 -0.594               -145.973
 RC180  Fr= 1--      -0.563                  0.222                 -0.003
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   1    -0.00   0.09  -0.05    -0.10  -0.12   0.08     0.05  -0.16   0.04
     2   6    -0.03   0.06  -0.01    -0.00  -0.03   0.00     0.04  -0.17   0.01
     3   6    -0.05  -0.03  -0.02     0.01   0.01  -0.01     0.10   0.03  -0.01
     4   1     0.02  -0.04  -0.01    -0.06  -0.06   0.07    -0.00   0.15  -0.12
     5   6    -0.02  -0.01  -0.05    -0.00   0.01  -0.01     0.04  -0.01   0.14
     6   1    -0.00   0.08  -0.07    -0.08  -0.08   0.08     0.04  -0.14   0.14
     7   6     0.03  -0.06   0.01    -0.01   0.01  -0.01    -0.05   0.15  -0.02
     8   1     0.07  -0.03  -0.03    -0.11  -0.09   0.13    -0.07   0.14  -0.08
     9   6     0.01  -0.00   0.05     0.04   0.03  -0.06    -0.06   0.01  -0.04
    10   6    -0.01   0.07  -0.02    -0.02  -0.07   0.06    -0.02  -0.06   0.03
    11   6     0.02   0.00   0.04     0.04   0.03  -0.04    -0.07  -0.03  -0.09
    12   6     0.08  -0.02  -0.00    -0.10  -0.02   0.10    -0.06   0.08  -0.11
    13   6     0.02   0.03  -0.04    -0.06  -0.04   0.13    -0.06  -0.03   0.07
    14   6    -0.03   0.02   0.03     0.05   0.02  -0.04     0.03   0.03  -0.04
    15   6     0.03  -0.08   0.02     0.06   0.02  -0.18    -0.00   0.12  -0.05
    16   6     0.04  -0.00  -0.02     0.04   0.06  -0.16    -0.04  -0.02   0.16
    17   6    -0.01   0.03  -0.00    -0.01  -0.01   0.09     0.09   0.00   0.01
    18   6    -0.01   0.05   0.02     0.06   0.05  -0.06     0.01  -0.07   0.03
    19   6    -0.09  -0.07  -0.00     0.02   0.00   0.15     0.06   0.10  -0.07
    20   6    -0.02  -0.07  -0.05    -0.02  -0.06   0.19     0.01  -0.01   0.06
    21   6    -0.07   0.01  -0.01    -0.02   0.04  -0.11    -0.00  -0.07   0.04
    22   6     0.02  -0.02  -0.00    -0.05  -0.02   0.10    -0.05  -0.03  -0.06
    23   6    -0.16   0.04  -0.03    -0.02   0.04  -0.12     0.09  -0.01   0.02
    24   6     0.28  -0.16  -0.03    -0.01  -0.00  -0.08     0.03   0.00  -0.04
    25   6     0.24  -0.07  -0.08     0.01  -0.08   0.07     0.05  -0.07   0.02
    26   6     0.09   0.01  -0.06     0.01   0.02  -0.08     0.06   0.01   0.01
    27   6    -0.02   0.21   0.13     0.02   0.03   0.03    -0.02   0.18  -0.01
    28   6    -0.15   0.15   0.05    -0.01   0.03  -0.02    -0.12   0.00   0.11
    29   6    -0.25   0.08   0.14    -0.01  -0.02   0.06    -0.10   0.04  -0.10
    30   6    -0.23   0.00   0.05    -0.00  -0.03  -0.00    -0.01  -0.14   0.02
    31   1    -0.01   0.07  -0.04    -0.02  -0.07   0.06    -0.00  -0.04   0.01
    32   1    -0.04  -0.03   0.10     0.12   0.13  -0.23     0.05   0.11  -0.16
    33   1    -0.03   0.03   0.05    -0.07  -0.10   0.27     0.18   0.14  -0.26
    34   1    -0.03   0.01   0.10     0.10   0.10  -0.17     0.05   0.02  -0.17
    35   1    -0.08  -0.01   0.02     0.03   0.12  -0.30     0.03  -0.01  -0.10
    36   1     0.04  -0.10   0.01    -0.08  -0.10   0.27     0.01   0.07  -0.32
    37   1     0.37  -0.10   0.08     0.03   0.11  -0.34     0.08   0.08  -0.12
    38   1     0.20  -0.07  -0.04    -0.00  -0.06   0.04     0.05  -0.06  -0.03
    39   1    -0.15   0.22   0.19     0.03  -0.03   0.17    -0.01   0.17   0.01
    40   1    -0.11   0.02  -0.06     0.00   0.00  -0.02    -0.07  -0.15   0.24
    41  35     0.04  -0.03  -0.02     0.00  -0.00  -0.00     0.01  -0.01  -0.00
    42   1    -0.20   0.00   0.05     0.04  -0.08   0.10    -0.01  -0.17   0.08
                     34                     35                     36
                      A                      A                      A
 Frequencies --    651.3480               683.1437               693.2163
 Red. masses --      4.4954                 6.0088                 5.4330
 Frc consts  --      1.1237                 1.6522                 1.5382
 IR Inten    --      2.5437                 5.1313                 0.2156
 RamAct Fr= 1--      0.4331                53.8873                 6.6565
  Dep-P Fr= 1--      0.6110                 0.0621                 0.0867
  Dep-U Fr= 1--      0.7585                 0.1169                 0.1596
 Alpha2 Fr= 1--      0.0011                 1.0342                 0.1204
 Beta2  Fr= 1--      0.0548                 1.0499                 0.1771
 AlphaG Fr= 1--      0.0066                -3.3113                -0.6128
 Gamma2 Fr= 1--     -0.0694                15.0390                -1.9171
 Delta2 Fr= 1--     -0.0569                -0.1772                -1.7697
 Raman1 Fr= 1--       1.732                215.549                 26.626
 ROA1   Fr= 1--      -8.485               1438.073               -240.674
 CID1   Fr= 1--      -4.898                  6.672                 -9.039
 Raman2 Fr= 1--       0.657                 12.599                  2.125
 ROA2   Fr= 1--      -1.211                362.354                -31.854
 CID2   Fr= 1--      -1.844                 28.761                -14.991
 Raman3 Fr= 1--       1.314                 25.198                  4.250
 ROA3   Fr= 1--      -8.485               1438.073               -240.674
 CID3   Fr= 1--      -6.457                 57.071                -56.634
 RC180  Fr= 1--       0.517                 -0.766                 -0.681
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   1     0.15  -0.05  -0.09     0.06  -0.21  -0.01    -0.03   0.01   0.01
     2   6     0.11  -0.09  -0.10     0.05  -0.21  -0.05    -0.01   0.02  -0.02
     3   6    -0.00  -0.06   0.06     0.07  -0.02  -0.04    -0.02  -0.01  -0.02
     4   1    -0.18  -0.03   0.04    -0.10   0.13  -0.16    -0.07  -0.04   0.01
     5   6     0.10   0.07   0.03     0.06   0.00   0.14     0.04   0.02   0.02
     6   1     0.17   0.05  -0.06     0.09  -0.10   0.10    -0.00   0.08   0.09
     7   6    -0.11   0.07   0.07    -0.10   0.17  -0.01     0.08  -0.03   0.05
     8   1    -0.13   0.05   0.02    -0.13   0.15  -0.14     0.07  -0.05   0.08
     9   6    -0.05   0.02  -0.03    -0.11   0.03  -0.00     0.03   0.02   0.02
    10   6     0.05   0.02  -0.05    -0.05   0.02   0.03    -0.16   0.11  -0.05
    11   6    -0.08  -0.05  -0.07    -0.06  -0.04  -0.12     0.00  -0.00   0.01
    12   6    -0.14   0.01   0.05    -0.02   0.03  -0.07    -0.01  -0.04   0.02
    13   6     0.03   0.04  -0.11    -0.03   0.01   0.10    -0.02  -0.01  -0.04
    14   6    -0.02  -0.02   0.06    -0.02   0.07   0.01    -0.14   0.04  -0.06
    15   6    -0.07   0.06   0.16     0.01  -0.04  -0.03     0.03  -0.00   0.01
    16   6     0.04   0.07  -0.12     0.05   0.00   0.02     0.04   0.01   0.02
    17   6     0.07  -0.01   0.04     0.08   0.00   0.07     0.18  -0.15  -0.01
    18   6     0.03  -0.04  -0.03     0.08   0.02   0.02     0.09  -0.24  -0.04
    19   6     0.07   0.04   0.12    -0.09  -0.09   0.02    -0.01   0.02  -0.04
    20   6     0.03   0.03  -0.10     0.02  -0.04  -0.07    -0.04  -0.01   0.02
    21   6     0.03  -0.03  -0.04     0.03   0.03   0.03    -0.05   0.25   0.06
    22   6    -0.05  -0.02   0.01     0.10   0.04   0.00     0.07   0.20   0.09
    23   6     0.08  -0.01  -0.03    -0.19   0.03   0.05     0.00   0.01   0.00
    24   6    -0.02  -0.02   0.05     0.08  -0.09  -0.03    -0.09  -0.10  -0.03
    25   6    -0.02  -0.01  -0.07     0.03   0.02  -0.02    -0.10  -0.14  -0.03
    26   6     0.03   0.02  -0.02    -0.09  -0.04  -0.06     0.04  -0.00   0.02
    27   6     0.01   0.05   0.11    -0.04  -0.22  -0.04     0.07   0.06  -0.00
    28   6    -0.07   0.05  -0.05     0.12   0.01  -0.07     0.04  -0.00   0.01
    29   6     0.01  -0.07   0.11     0.03   0.03   0.07    -0.03   0.01  -0.02
    30   6     0.01  -0.06  -0.11    -0.08   0.24   0.08    -0.02  -0.02   0.01
    31   1     0.02  -0.01   0.01     0.02   0.09  -0.08    -0.23   0.05  -0.11
    32   1    -0.12  -0.09   0.21     0.02   0.17  -0.16    -0.15   0.02  -0.02
    33   1    -0.02  -0.11   0.30     0.11   0.02  -0.00     0.17  -0.21   0.04
    34   1    -0.09  -0.13   0.19     0.13   0.06  -0.07     0.13  -0.30   0.06
    35   1     0.02  -0.08   0.19     0.02   0.01   0.09     0.02   0.34  -0.00
    36   1    -0.11  -0.10   0.26     0.10  -0.00   0.04     0.07   0.24   0.03
    37   1    -0.03  -0.08   0.24     0.03  -0.19   0.10    -0.08  -0.07  -0.09
    38   1    -0.02  -0.04   0.03     0.01  -0.02   0.12    -0.21  -0.10  -0.07
    39   1     0.02   0.07   0.07    -0.12  -0.23   0.01     0.08   0.07  -0.02
    40   1    -0.09   0.09  -0.25     0.08   0.14  -0.07     0.07  -0.08   0.00
    41  35    -0.00  -0.00  -0.00     0.01   0.00  -0.00     0.00  -0.00  -0.00
    42   1    -0.03  -0.02  -0.20    -0.08   0.26   0.02    -0.02  -0.02   0.02
                     37                     38                     39
                      A                      A                      A
 Frequencies --    707.6199               716.6099               756.0315
 Red. masses --      3.3499                 5.8104                 1.6197
 Frc consts  --      0.9883                 1.7580                 0.5455
 IR Inten    --      1.8000                 0.9941                12.9382
 RamAct Fr= 1--      1.4147                 4.5331                 6.0937
  Dep-P Fr= 1--      0.7465                 0.6847                 0.7255
  Dep-U Fr= 1--      0.8549                 0.8129                 0.8409
 Alpha2 Fr= 1--      0.0001                 0.0052                 0.0026
 Beta2  Fr= 1--      0.2016                 0.6141                 0.8540
 AlphaG Fr= 1--     -0.0088                -0.0106                -0.0954
 Gamma2 Fr= 1--    -10.3576                -3.3123               -14.8123
 Delta2 Fr= 1--      0.4725                 0.6494                -0.6489
 Raman1 Fr= 1--       5.659                 18.132                 24.375
 ROA1   Fr= 1--    -979.212               -297.195              -1442.745
 CID1   Fr= 1--    -173.042                -16.390                -59.190
 Raman2 Fr= 1--       2.419                  7.370                 10.248
 ROA2   Fr= 1--    -252.363                -84.690               -350.303
 CID2   Fr= 1--    -104.337                -11.492                -34.181
 Raman3 Fr= 1--       4.837                 14.739                 20.497
 ROA3   Fr= 1--    -979.212               -297.195              -1442.745
 CID3   Fr= 1--    -202.423                -20.164                -70.389
 RC180  Fr= 1--       0.710                  0.626                  0.682
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   1    -0.10  -0.03   0.11     0.10   0.00  -0.12     0.17   0.20  -0.17
     2   6    -0.06   0.01   0.07     0.07  -0.05   0.01    -0.01   0.01   0.01
     3   6     0.03   0.06  -0.04     0.01   0.03   0.08    -0.04  -0.03   0.05
     4   1     0.11   0.05  -0.04     0.08   0.08   0.02     0.19   0.21  -0.21
     5   6    -0.06  -0.05   0.03    -0.07   0.01  -0.07    -0.02  -0.00   0.00
     6   1    -0.08  -0.04   0.05     0.04  -0.10  -0.23     0.20   0.24  -0.27
     7   6     0.07  -0.00  -0.05    -0.16   0.03  -0.06    -0.02  -0.05   0.05
     8   1     0.11   0.04  -0.08    -0.12   0.07  -0.07     0.16   0.11  -0.13
     9   6    -0.03  -0.04   0.07    -0.02  -0.03  -0.08     0.06   0.03  -0.06
    10   6    -0.03  -0.02   0.03     0.19  -0.11   0.05     0.01   0.00  -0.02
    11   6     0.07   0.06  -0.03    -0.01  -0.05   0.01    -0.02  -0.01   0.03
    12   6     0.10   0.04  -0.11    -0.01   0.05   0.03    -0.03   0.00   0.01
    13   6    -0.05  -0.05   0.10    -0.00   0.08  -0.01    -0.02  -0.02   0.02
    14   6    -0.00  -0.02  -0.01     0.14   0.10   0.11     0.03   0.05  -0.05
    15   6     0.00   0.01  -0.00     0.00   0.01  -0.00     0.03   0.03  -0.07
    16   6    -0.03  -0.01  -0.00     0.03  -0.08   0.02    -0.00   0.01   0.03
    17   6    -0.05  -0.06   0.03    -0.19  -0.04  -0.09     0.03  -0.01   0.03
    18   6     0.01  -0.01  -0.05    -0.11  -0.00  -0.03    -0.01  -0.05   0.02
    19   6     0.02  -0.00   0.15    -0.06   0.04  -0.03     0.02   0.01   0.03
    20   6     0.01   0.05  -0.11    -0.03   0.04   0.00     0.00  -0.01  -0.00
    21   6    -0.00   0.01   0.05     0.07   0.09   0.04    -0.02  -0.01   0.01
    22   6     0.00   0.05  -0.05     0.24   0.06   0.08    -0.03   0.01  -0.02
    23   6     0.05  -0.05   0.08    -0.04  -0.01   0.02     0.01  -0.01   0.06
    24   6    -0.06   0.03  -0.02    -0.13  -0.04  -0.02     0.02   0.00  -0.03
    25   6    -0.04  -0.03  -0.05    -0.10  -0.18  -0.06     0.02   0.00  -0.00
    26   6     0.02   0.03  -0.11     0.06  -0.02  -0.02    -0.02   0.01  -0.05
    27   6     0.04   0.03   0.09     0.11   0.07   0.01    -0.02  -0.03   0.01
    28   6    -0.02   0.04  -0.06     0.09   0.03   0.00    -0.02   0.01  -0.02
    29   6     0.00  -0.04   0.09    -0.08   0.04   0.02     0.02  -0.01   0.02
    30   6    -0.00  -0.03  -0.08    -0.07  -0.01   0.02     0.00   0.03  -0.01
    31   1     0.13   0.12  -0.22     0.10  -0.19   0.22    -0.23  -0.22   0.31
    32   1     0.15   0.12  -0.28     0.03   0.04   0.24    -0.16  -0.12   0.26
    33   1    -0.01  -0.03  -0.10    -0.20   0.08  -0.11     0.10   0.10  -0.20
    34   1     0.11   0.06  -0.23     0.01  -0.02  -0.07     0.08   0.08  -0.25
    35   1    -0.02  -0.04   0.22     0.02   0.06  -0.11     0.00   0.02  -0.00
    36   1    -0.03   0.06   0.05     0.25   0.14   0.00    -0.03  -0.00  -0.03
    37   1    -0.06  -0.09   0.36    -0.10  -0.03   0.04     0.02  -0.03   0.10
    38   1    -0.02  -0.17   0.33    -0.16  -0.19   0.01     0.03  -0.05   0.14
    39   1     0.05   0.01   0.14     0.07   0.08   0.02    -0.03  -0.05   0.06
    40   1    -0.02   0.03  -0.17     0.13  -0.10  -0.06    -0.03   0.04   0.00
    41  35    -0.00  -0.00  -0.00     0.01  -0.00  -0.00    -0.00   0.00   0.00
    42   1    -0.03   0.03  -0.23    -0.04   0.01  -0.03    -0.04   0.06  -0.07
                     40                     41                     42
                      A                      A                      A
 Frequencies --    760.0697               764.9123               777.3879
 Red. masses --      1.8602                 4.9192                 1.6910
 Frc consts  --      0.6332                 1.6958                 0.6021
 IR Inten    --     11.5087                 5.0612                 6.0833
 RamAct Fr= 1--      4.6605                 1.3396                 1.0538
  Dep-P Fr= 1--      0.5345                 0.5813                 0.3853
  Dep-U Fr= 1--      0.6966                 0.7352                 0.5563
 Alpha2 Fr= 1--      0.0194                 0.0042                 0.0082
 Beta2  Fr= 1--      0.5411                 0.1642                 0.0977
 AlphaG Fr= 1--     -0.3390                -0.0819                -0.0024
 Gamma2 Fr= 1--    -11.9672                -0.8378                -3.8440
 Delta2 Fr= 1--     -1.7940                -0.4088                -0.1511
 Raman1 Fr= 1--      18.642                  5.358                  4.215
 ROA1   Fr= 1--   -1206.262                -93.512               -373.855
 CID1   Fr= 1--     -64.707                -17.451                -88.689
 Raman2 Fr= 1--       6.493                  1.970                  1.172
 ROA2   Fr= 1--    -272.862                -16.838                -91.047
 CID2   Fr= 1--     -42.023                 -8.548                -77.659
 Raman3 Fr= 1--      12.986                  3.940                  2.345
 ROA3   Fr= 1--   -1206.262                -93.512               -373.855
 CID3   Fr= 1--     -92.886                -23.736               -159.442
 RC180  Fr= 1--       0.393                  0.470                  0.113
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   1     0.07   0.05  -0.10     0.04   0.04  -0.01    -0.04   0.01   0.09
     2   6    -0.03  -0.06   0.02    -0.02   0.00  -0.08    -0.01   0.06   0.00
     3   6    -0.01  -0.02  -0.01    -0.03  -0.10  -0.08     0.01   0.01  -0.01
     4   1     0.17   0.23  -0.28    -0.19  -0.10  -0.06    -0.09  -0.15   0.16
     5   6    -0.02  -0.04   0.06     0.14   0.03   0.07     0.03   0.02  -0.02
     6   1     0.21   0.21  -0.24     0.02   0.07   0.22    -0.13  -0.10   0.19
     7   6    -0.03   0.01   0.02     0.04   0.03   0.07     0.05  -0.01   0.00
     8   1     0.16   0.19  -0.27    -0.08  -0.08   0.10    -0.05  -0.11   0.16
     9   6    -0.03   0.02   0.02     0.00   0.09  -0.01     0.01  -0.02   0.01
    10   6    -0.02   0.04  -0.00    -0.09   0.06  -0.04     0.02  -0.03  -0.02
    11   6     0.05   0.04  -0.06    -0.09  -0.01   0.03    -0.05  -0.01   0.03
    12   6     0.04  -0.01  -0.02    -0.01  -0.05   0.05    -0.02   0.04  -0.04
    13   6     0.00  -0.02   0.04     0.10  -0.01   0.02     0.00  -0.00  -0.02
    14   6    -0.00  -0.02  -0.02    -0.05  -0.13  -0.13     0.00  -0.01  -0.02
    15   6    -0.02  -0.06   0.07    -0.02  -0.07  -0.11    -0.03   0.06   0.00
    16   6     0.02  -0.00  -0.06    -0.05  -0.05   0.01    -0.01   0.01   0.02
    17   6    -0.04  -0.02   0.03    -0.05   0.05  -0.01     0.01  -0.01   0.04
    18   6     0.02   0.05   0.02     0.08   0.19   0.16    -0.03  -0.04   0.03
    19   6    -0.02  -0.02  -0.00    -0.05  -0.03  -0.03     0.01   0.03   0.03
    20   6    -0.01   0.01  -0.00     0.01   0.05   0.03     0.03   0.01  -0.01
    21   6     0.01   0.03  -0.05     0.09  -0.07   0.02     0.08  -0.02  -0.05
    22   6     0.03   0.01  -0.02     0.08  -0.04   0.02    -0.00   0.01  -0.06
    23   6    -0.01   0.01  -0.08    -0.02  -0.08   0.05    -0.03   0.02  -0.01
    24   6    -0.03  -0.01   0.06    -0.13   0.12  -0.01    -0.02  -0.03   0.04
    25   6    -0.02   0.01   0.02    -0.06  -0.04  -0.02    -0.01  -0.07   0.01
    26   6     0.02  -0.00   0.06     0.04  -0.00  -0.05    -0.00  -0.03  -0.02
    27   6     0.03   0.05  -0.02     0.11   0.08   0.04     0.00  -0.02  -0.03
    28   6     0.02  -0.01   0.02     0.09   0.05  -0.01     0.03   0.02  -0.02
    29   6    -0.01   0.01  -0.02    -0.07   0.03   0.04    -0.02   0.01   0.03
    30   6     0.01  -0.05   0.01    -0.05  -0.06  -0.03    -0.04   0.04   0.02
    31   1    -0.04   0.02   0.08    -0.10   0.05   0.12    -0.01  -0.06  -0.00
    32   1    -0.00  -0.04   0.00    -0.14  -0.20   0.02    -0.08  -0.06   0.08
    33   1     0.00  -0.01  -0.09     0.05  -0.05  -0.21     0.12   0.15  -0.31
    34   1     0.10   0.09  -0.11     0.15   0.24   0.05     0.06   0.10  -0.26
    35   1    -0.07  -0.11   0.28     0.06  -0.06  -0.21     0.03  -0.15   0.38
    36   1    -0.04  -0.12   0.34     0.09   0.08  -0.10    -0.11  -0.08   0.36
    37   1    -0.03   0.08  -0.25    -0.12   0.05   0.22    -0.00   0.09  -0.27
    38   1    -0.05   0.12  -0.27     0.01  -0.14   0.26    -0.01   0.03  -0.29
    39   1     0.05   0.05  -0.03     0.07   0.09   0.02    -0.01  -0.08   0.16
    40   1     0.03  -0.05   0.02     0.14  -0.08  -0.10     0.05  -0.05   0.11
    41  35    -0.00  -0.00  -0.00     0.01  -0.00  -0.00     0.00  -0.00  -0.00
    42   1     0.07  -0.10   0.08    -0.00  -0.03  -0.14    -0.04   0.02   0.06
                     43                     44                     45
                      A                      A                      A
 Frequencies --    783.2196               795.4389               815.2457
 Red. masses --      3.0086                 1.6342                 2.0596
 Frc consts  --      1.0874                 0.6092                 0.8065
 IR Inten    --     12.3569                 1.3595                 4.5912
 RamAct Fr= 1--      5.3772                 1.3843                 1.3791
  Dep-P Fr= 1--      0.5945                 0.7359                 0.5899
  Dep-U Fr= 1--      0.7457                 0.8478                 0.7421
 Alpha2 Fr= 1--      0.0155                 0.0003                 0.0041
 Beta2  Fr= 1--      0.6683                 0.1956                 0.1706
 AlphaG Fr= 1--      0.1611                -0.0469                 0.0182
 Gamma2 Fr= 1--     -3.6525                -4.8860                -4.2691
 Delta2 Fr= 1--     -4.3101                -0.0710                -0.4870
 Raman1 Fr= 1--      21.509                  5.537                  5.516
 ROA1   Fr= 1--    -488.564               -471.330               -425.414
 CID1   Fr= 1--     -22.715                -85.119                -77.121
 Raman2 Fr= 1--       8.019                  2.347                  2.047
 ROA2   Fr= 1--     -53.180               -116.696                -98.561
 CID2   Fr= 1--      -6.632                -49.713                -48.155
 Raman3 Fr= 1--      16.039                  4.695                  4.093
 ROA3   Fr= 1--    -488.564               -471.330               -425.414
 CID3   Fr= 1--     -30.462               -100.395               -103.925
 RC180  Fr= 1--       0.491                  0.696                  0.484
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   1     0.02   0.13   0.03    -0.02  -0.02   0.01    -0.27  -0.29   0.26
     2   6    -0.07   0.05   0.05    -0.00  -0.01   0.00     0.00  -0.00   0.00
     3   6    -0.01  -0.01   0.00    -0.00   0.00  -0.00     0.05   0.07  -0.06
     4   1     0.20   0.15  -0.17     0.03   0.05  -0.05    -0.19  -0.19   0.22
     5   6    -0.01  -0.03   0.05    -0.01  -0.02   0.02    -0.03  -0.04   0.03
     6   1     0.16   0.25  -0.16     0.07   0.07  -0.08     0.00  -0.02  -0.00
     7   6     0.07  -0.06   0.04    -0.01  -0.00   0.01     0.01   0.00  -0.01
     8   1     0.23   0.09  -0.13     0.06   0.06  -0.09     0.20   0.18  -0.26
     9   6     0.03  -0.01   0.01    -0.01  -0.00   0.01    -0.10  -0.08   0.12
    10   6     0.01  -0.07  -0.01    -0.00   0.01   0.00     0.05   0.05  -0.07
    11   6     0.03   0.09  -0.05     0.03   0.02  -0.03     0.08   0.06  -0.08
    12   6    -0.09   0.05  -0.00    -0.02  -0.02   0.04    -0.04  -0.02   0.07
    13   6    -0.03  -0.03  -0.00     0.01   0.00  -0.02     0.03   0.01  -0.05
    14   6    -0.01  -0.08  -0.01    -0.01  -0.02   0.01     0.01   0.00  -0.02
    15   6    -0.07   0.10   0.06    -0.00  -0.00   0.00    -0.00   0.01   0.00
    16   6    -0.01   0.04  -0.03    -0.01  -0.01   0.02     0.01   0.01  -0.04
    17   6     0.06   0.04  -0.00     0.01   0.02  -0.03    -0.01  -0.01   0.02
    18   6     0.00  -0.01  -0.06     0.01   0.01  -0.01    -0.02  -0.01   0.03
    19   6     0.00   0.08  -0.03     0.00   0.01  -0.07     0.01   0.02  -0.05
    20   6     0.05   0.01   0.02    -0.00   0.01   0.01    -0.00  -0.01   0.06
    21   6     0.14  -0.09   0.00    -0.00  -0.00   0.01    -0.00  -0.00  -0.01
    22   6    -0.02  -0.04   0.03     0.01  -0.01   0.01    -0.01  -0.01   0.02
    23   6    -0.06   0.04  -0.02     0.02  -0.03   0.10     0.01   0.00   0.03
    24   6    -0.04   0.01  -0.01    -0.00   0.00   0.02     0.00   0.01  -0.03
    25   6    -0.02  -0.10  -0.06     0.00  -0.03   0.06     0.01  -0.01  -0.01
    26   6     0.01  -0.07   0.01    -0.01   0.02  -0.07    -0.00   0.01  -0.02
    27   6     0.01  -0.04  -0.01    -0.00   0.02  -0.04    -0.01  -0.01   0.01
    28   6     0.06  -0.00   0.03    -0.02   0.05  -0.10    -0.01  -0.01   0.01
    29   6    -0.06   0.05  -0.00     0.01  -0.04   0.07     0.00  -0.00  -0.01
    30   6    -0.07   0.06   0.07    -0.00   0.01  -0.02     0.00   0.01   0.01
    31   1     0.08  -0.00  -0.12     0.03   0.04  -0.03    -0.12  -0.11   0.23
    32   1     0.07   0.02  -0.19     0.04   0.01  -0.06    -0.19  -0.21   0.37
    33   1    -0.06  -0.05   0.35    -0.05  -0.06   0.16     0.04   0.07  -0.14
    34   1    -0.20  -0.10   0.20    -0.08  -0.07   0.19     0.06   0.08  -0.19
    35   1     0.21   0.01  -0.20    -0.00   0.00  -0.04     0.02   0.03  -0.11
    36   1    -0.01   0.14  -0.13     0.03   0.03  -0.10    -0.00  -0.01   0.01
    37   1    -0.02  -0.02   0.12     0.01   0.10  -0.25     0.01  -0.02   0.08
    38   1     0.03  -0.15   0.05     0.01   0.09  -0.27     0.02  -0.06   0.13
    39   1    -0.09   0.03  -0.17     0.08  -0.22   0.58    -0.02   0.02  -0.07
    40   1     0.05   0.03  -0.11     0.07  -0.18   0.41    -0.02   0.03  -0.06
    41  35     0.01  -0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.00   0.00
    42   1    -0.08   0.06   0.09    -0.06   0.09  -0.18    -0.03   0.04  -0.04
                     46                     47                     48
                      A                      A                      A
 Frequencies --    829.6371               838.9481               850.2296
 Red. masses --      4.6273                 2.3555                 2.1200
 Frc consts  --      1.8765                 0.9768                 0.9030
 IR Inten    --     17.9484                16.9697                 2.4520
 RamAct Fr= 1--      3.5300                 4.5610                 1.7407
  Dep-P Fr= 1--      0.7473                 0.1523                 0.3252
  Dep-U Fr= 1--      0.8554                 0.2643                 0.4908
 Alpha2 Fr= 1--      0.0002                 0.0701                 0.0165
 Beta2  Fr= 1--      0.5032                 0.2009                 0.1424
 AlphaG Fr= 1--     -0.0054                 0.0206                 0.0577
 Gamma2 Fr= 1--     -9.2118                 3.4295                 2.3327
 Delta2 Fr= 1--    -11.3922                 0.2736                -1.2635
 Raman1 Fr= 1--      14.120                 18.244                  6.963
 ROA1   Fr= 1--   -1248.886                337.991                183.505
 CID1   Fr= 1--     -88.449                 18.526                 26.356
 Raman2 Fr= 1--       6.039                  2.411                  1.709
 ROA2   Fr= 1--    -129.946                 80.120                 66.092
 CID2   Fr= 1--     -21.519                 33.228                 38.678
 Raman3 Fr= 1--      12.078                  4.822                  3.418
 ROA3   Fr= 1--   -1248.886                337.991                183.505
 CID3   Fr= 1--    -103.406                 70.086                 53.694
 RC180  Fr= 1--       0.711                 -0.471                 -0.018
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   1    -0.04  -0.17  -0.07     0.05   0.06  -0.05    -0.09  -0.09   0.10
     2   6     0.08  -0.06   0.00    -0.01  -0.01   0.00     0.00   0.01  -0.01
     3   6     0.02   0.09   0.08    -0.02  -0.03   0.01     0.01   0.00  -0.03
     4   1     0.04   0.05   0.12     0.08   0.10  -0.13    -0.09  -0.08   0.06
     5   6    -0.12  -0.01  -0.08     0.01  -0.00   0.01     0.01  -0.01   0.02
     6   1    -0.04  -0.09  -0.18     0.05   0.07  -0.05     0.05   0.05  -0.03
     7   6    -0.04  -0.03  -0.05    -0.00   0.00   0.00    -0.01  -0.00   0.02
     8   1     0.03   0.03  -0.03    -0.04  -0.03   0.03     0.09   0.09  -0.13
     9   6     0.02  -0.03   0.01     0.01   0.02  -0.02    -0.01   0.00   0.00
    10   6    -0.03   0.10   0.05    -0.02  -0.03   0.03     0.01   0.00  -0.02
    11   6     0.08  -0.07  -0.00     0.01   0.02  -0.02     0.00   0.01  -0.01
    12   6     0.00  -0.09   0.01    -0.03  -0.01   0.05    -0.02  -0.02   0.04
    13   6    -0.02  -0.01  -0.06     0.05   0.04  -0.08     0.00  -0.00   0.03
    14   6    -0.01   0.12   0.07    -0.03  -0.05   0.05     0.01  -0.00  -0.03
    15   6     0.02  -0.06  -0.08    -0.01   0.01   0.02     0.05   0.01  -0.10
    16   6    -0.04   0.04   0.08     0.00  -0.02   0.03    -0.04  -0.05   0.12
    17   6     0.16   0.07   0.04    -0.03  -0.01  -0.01    -0.01   0.01  -0.09
    18   6     0.00  -0.05  -0.03    -0.02  -0.00   0.03     0.02   0.03  -0.02
    19   6    -0.02  -0.08  -0.06     0.01   0.04  -0.10     0.02  -0.00   0.10
    20   6     0.05  -0.01   0.05    -0.02  -0.03   0.13    -0.01   0.04  -0.10
    21   6     0.08  -0.05  -0.06    -0.01   0.04  -0.07    -0.01   0.01   0.02
    22   6    -0.13   0.01  -0.09     0.04   0.01  -0.03     0.02   0.01  -0.04
    23   6    -0.06  -0.10   0.02     0.04  -0.01   0.10     0.01   0.03  -0.01
    24   6    -0.08   0.12   0.02     0.02  -0.01  -0.05    -0.00  -0.02   0.07
    25   6    -0.03   0.07   0.04     0.02  -0.04   0.02     0.01  -0.05   0.04
    26   6    -0.01  -0.01  -0.06    -0.02   0.06  -0.13    -0.01   0.02  -0.08
    27   6     0.09   0.01   0.03    -0.01  -0.03   0.07    -0.00  -0.03   0.05
    28   6     0.15   0.05   0.02    -0.04  -0.03   0.03    -0.01  -0.03   0.05
    29   6    -0.11   0.08   0.04     0.03  -0.02  -0.04     0.00   0.00  -0.02
    30   6    -0.07  -0.08  -0.02     0.02   0.03   0.02     0.00   0.03  -0.00
    31   1    -0.08   0.07  -0.03     0.19   0.16  -0.25    -0.08  -0.08   0.14
    32   1     0.13   0.11   0.04     0.14   0.11  -0.26    -0.06  -0.05   0.07
    33   1     0.13   0.07   0.14     0.03   0.06  -0.19    -0.12  -0.15   0.25
    34   1    -0.22  -0.09   0.15     0.02  -0.01   0.02    -0.08  -0.12   0.31
    35   1     0.10  -0.11   0.34    -0.09  -0.10   0.26    -0.05  -0.06   0.19
    36   1    -0.21  -0.05   0.22    -0.04  -0.15   0.35     0.03   0.03  -0.09
    37   1    -0.15   0.08  -0.06     0.05   0.04  -0.10     0.04   0.16  -0.36
    38   1     0.06   0.02   0.13     0.01  -0.08   0.13     0.01   0.07  -0.33
    39   1    -0.03   0.09  -0.12    -0.03   0.09  -0.27    -0.04   0.09  -0.25
    40   1     0.17  -0.01  -0.23    -0.12   0.17  -0.32    -0.08   0.16  -0.34
    41  35     0.01  -0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    42   1     0.04  -0.07  -0.11    -0.09   0.14  -0.17    -0.01  -0.01   0.09
                     49                     50                     51
                      A                      A                      A
 Frequencies --    855.3348               856.4748               865.9647
 Red. masses --      4.6408                 3.1863                 1.7331
 Frc consts  --      2.0004                 1.3771                 0.7657
 IR Inten    --      3.3355                 7.1146                91.6861
 RamAct Fr= 1--     14.4188                 5.9252                 1.6202
  Dep-P Fr= 1--      0.0756                 0.1243                 0.5696
  Dep-U Fr= 1--      0.1406                 0.2211                 0.7258
 Alpha2 Fr= 1--      0.2679                 0.0977                 0.0055
 Beta2  Fr= 1--      0.3379                 0.2183                 0.1960
 AlphaG Fr= 1--      0.0004                 0.0747                -0.0467
 Gamma2 Fr= 1--     -4.2890                 1.7296                -1.5951
 Delta2 Fr= 1--     -3.2672                 0.3248                -1.6644
 Raman1 Fr= 1--      57.675                 23.701                  6.481
 ROA1   Fr= 1--    -516.291                176.430               -206.386
 CID1   Fr= 1--      -8.952                  7.444                -31.847
 Raman2 Fr= 1--       4.055                  2.620                  2.352
 ROA2   Fr= 1--     -76.798                 38.912                -24.966
 CID2   Fr= 1--     -18.941                 14.851                -10.616
 Raman3 Fr= 1--       8.109                  5.240                  4.703
 ROA3   Fr= 1--    -516.291                176.430               -206.386
 CID3   Fr= 1--     -63.668                 33.668                -43.880
 RC180  Fr= 1--      -0.719                 -0.558                  0.452
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   1    -0.03   0.15   0.24     0.07   0.12  -0.02    -0.03  -0.01   0.05
     2   6    -0.08   0.12   0.04    -0.02   0.03   0.01    -0.01   0.02  -0.01
     3   6     0.02  -0.02  -0.04     0.00  -0.02  -0.01     0.01  -0.01  -0.02
     4   1     0.04  -0.08   0.02    -0.02  -0.06   0.03    -0.06  -0.07   0.05
     5   6     0.07  -0.02   0.08     0.04   0.02  -0.01     0.02  -0.00   0.01
     6   1     0.11   0.13   0.03    -0.11  -0.11   0.18     0.01  -0.00   0.03
     7   6     0.05  -0.01   0.04     0.02   0.02  -0.01    -0.01   0.00   0.01
     8   1     0.12   0.05  -0.04    -0.08  -0.07   0.10     0.03   0.04  -0.06
     9   6    -0.00  -0.05  -0.02    -0.01  -0.01   0.01    -0.01   0.00  -0.00
    10   6     0.10  -0.19  -0.05     0.04  -0.02  -0.04     0.02  -0.01  -0.02
    11   6    -0.07   0.12  -0.07    -0.06  -0.02   0.04    -0.02  -0.00   0.01
    12   6    -0.16   0.04   0.00     0.08   0.06  -0.13     0.02   0.01  -0.02
    13   6    -0.00   0.07  -0.05    -0.09  -0.06   0.14    -0.03  -0.02   0.07
    14   6    -0.01   0.04   0.06     0.05   0.04  -0.07     0.02   0.01  -0.03
    15   6    -0.05  -0.01  -0.09    -0.06  -0.02   0.15     0.01  -0.00  -0.00
    16   6     0.05  -0.01   0.07     0.03   0.03  -0.09    -0.02  -0.03   0.08
    17   6     0.08   0.04   0.03     0.02   0.01   0.01     0.01   0.02  -0.06
    18   6    -0.03  -0.04  -0.01     0.02   0.01  -0.08     0.02   0.03  -0.05
    19   6    -0.08  -0.11   0.02    -0.03  -0.00  -0.13    -0.00   0.00  -0.01
    20   6    -0.02  -0.04  -0.03     0.00  -0.02   0.05    -0.01  -0.02   0.09
    21   6    -0.07   0.04   0.01     0.01   0.00  -0.02     0.01   0.03  -0.07
    22   6     0.12   0.00  -0.00    -0.00  -0.01   0.04     0.02   0.03  -0.06
    23   6    -0.05  -0.11  -0.02     0.00  -0.07   0.09     0.00   0.02  -0.01
    24   6     0.04  -0.05  -0.02     0.01  -0.01   0.00     0.00   0.01  -0.06
    25   6    -0.02   0.20   0.07    -0.00   0.03   0.08     0.00   0.00  -0.07
    26   6    -0.02   0.04   0.02    -0.02   0.05  -0.12     0.01  -0.02   0.07
    27   6     0.04   0.03   0.01     0.03  -0.01   0.06    -0.01   0.02  -0.03
    28   6     0.07   0.04   0.00     0.03   0.00   0.03    -0.03   0.00  -0.03
    29   6    -0.01   0.02   0.02    -0.01   0.02  -0.01     0.02  -0.02  -0.00
    30   6     0.02  -0.13  -0.08     0.00  -0.03  -0.01     0.01   0.02   0.01
    31   1     0.08  -0.21  -0.24    -0.18  -0.22   0.27    -0.09  -0.12   0.15
    32   1    -0.16   0.19  -0.10    -0.19  -0.12   0.26    -0.08  -0.04   0.08
    33   1     0.08   0.18  -0.01    -0.09  -0.07   0.31    -0.11  -0.12   0.27
    34   1    -0.10  -0.03   0.02    -0.06  -0.04   0.05    -0.11  -0.14   0.32
    35   1    -0.14  -0.04   0.02     0.01   0.01  -0.06    -0.07  -0.13   0.38
    36   1     0.15  -0.16   0.05     0.02   0.01  -0.05    -0.07  -0.13   0.36
    37   1    -0.09  -0.19  -0.06    -0.03   0.04  -0.28     0.02  -0.08   0.30
    38   1    -0.15   0.22   0.11    -0.03   0.11  -0.12     0.01  -0.14   0.33
    39   1     0.05   0.04   0.01    -0.01   0.08  -0.18     0.03  -0.05   0.12
    40   1     0.10  -0.02  -0.02    -0.01   0.11  -0.29     0.01  -0.09   0.23
    41  35    -0.00  -0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00   0.00
    42   1     0.22  -0.19  -0.05    -0.02   0.07  -0.24    -0.01   0.01   0.02
                     52                     53                     54
                      A                      A                      A
 Frequencies --    888.0190               928.7696               935.3448
 Red. masses --      1.8112                 2.7486                 1.9265
 Frc consts  --      0.8415                 1.3969                 0.9931
 IR Inten    --      3.8498                 7.0574                 7.6546
 RamAct Fr= 1--      0.4123                57.1206                18.9874
  Dep-P Fr= 1--      0.7479                 0.0820                 0.1110
  Dep-U Fr= 1--      0.8558                 0.1515                 0.1998
 Alpha2 Fr= 1--      0.0000                 1.0449                 0.3236
 Beta2  Fr= 1--      0.0588                 1.4428                 0.6322
 AlphaG Fr= 1--     -0.0060                 3.6365                 1.8967
 Gamma2 Fr= 1--      1.0657               -15.5427                -4.5296
 Delta2 Fr= 1--      0.1695                -4.6060                 3.6927
 Raman1 Fr= 1--       1.649                228.482                 75.950
 ROA1   Fr= 1--     107.729              -1639.494               -316.678
 CID1   Fr= 1--      65.327                 -7.176                 -4.170
 Raman2 Fr= 1--       0.706                 17.313                  7.587
 ROA2   Fr= 1--      24.220               -336.177               -138.252
 CID2   Fr= 1--      34.324                -19.418                -18.223
 Raman3 Fr= 1--       1.411                 34.626                 15.173
 ROA3   Fr= 1--     107.729              -1639.494               -316.678
 CID3   Fr= 1--      76.338                -47.348                -20.871
 RC180  Fr= 1--       0.712                 -0.697                 -0.600
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   1     0.23   0.23  -0.24     0.00  -0.05  -0.03    -0.01   0.03   0.03
     2   6    -0.04  -0.06   0.05     0.04  -0.02   0.01    -0.03   0.02  -0.01
     3   6    -0.04  -0.04   0.04     0.01   0.07   0.07    -0.01  -0.05  -0.04
     4   1     0.26   0.28  -0.31     0.05   0.05   0.09     0.00  -0.00  -0.10
     5   6     0.01   0.03  -0.03    -0.05   0.00  -0.04     0.04  -0.01   0.03
     6   1    -0.17  -0.15   0.20    -0.04  -0.02  -0.06     0.04   0.02   0.02
     7   6     0.07   0.06  -0.08     0.06  -0.06  -0.01    -0.04   0.05  -0.00
     8   1    -0.30  -0.30   0.40     0.08  -0.05   0.08    -0.09   0.00  -0.01
     9   6    -0.07  -0.06   0.09     0.02  -0.02   0.01    -0.02   0.01  -0.01
    10   6     0.03   0.02  -0.04    -0.02   0.05   0.01     0.02  -0.03  -0.01
    11   6     0.07   0.07  -0.07    -0.03  -0.02  -0.03     0.03   0.02   0.02
    12   6    -0.04  -0.01   0.05    -0.08  -0.00  -0.08     0.06  -0.00   0.04
    13   6     0.01   0.00  -0.01    -0.01  -0.03   0.01     0.01   0.02  -0.00
    14   6     0.01   0.00  -0.02     0.00   0.02   0.00    -0.00  -0.00   0.00
    15   6     0.01  -0.00  -0.04    -0.12  -0.03  -0.03     0.07   0.00   0.03
    16   6    -0.01  -0.01   0.03    -0.02  -0.00  -0.01     0.02   0.01  -0.00
    17   6     0.01   0.01  -0.02     0.06   0.04   0.05    -0.03  -0.02  -0.03
    18   6    -0.00  -0.00  -0.00     0.04   0.06   0.01    -0.03  -0.04  -0.01
    19   6     0.00  -0.00   0.02    -0.09  -0.03  -0.03     0.05   0.01  -0.04
    20   6    -0.00   0.00  -0.01    -0.02   0.02   0.00     0.01  -0.02   0.02
    21   6    -0.00   0.00  -0.00     0.03  -0.02   0.01    -0.02   0.02  -0.02
    22   6     0.01   0.00  -0.01     0.10  -0.01   0.01    -0.07   0.00   0.01
    23   6    -0.00   0.01  -0.01     0.00  -0.02   0.05     0.03  -0.02   0.05
    24   6    -0.00   0.00   0.00     0.00  -0.00  -0.00    -0.01   0.03   0.00
    25   6     0.00  -0.00  -0.01     0.00  -0.05  -0.01    -0.00   0.01   0.01
    26   6     0.00  -0.00   0.01     0.02   0.03  -0.02    -0.01  -0.01  -0.02
    27   6    -0.00   0.00  -0.00     0.02   0.05   0.06     0.00  -0.05   0.03
    28   6    -0.00  -0.00   0.00    -0.09  -0.04  -0.03     0.03   0.02  -0.04
    29   6     0.00  -0.00  -0.00     0.09  -0.07  -0.00    -0.05   0.02   0.07
    30   6     0.00  -0.00   0.01     0.02   0.11  -0.10    -0.06   0.05  -0.12
    31   1    -0.05  -0.05   0.09    -0.08  -0.00   0.03     0.04  -0.01  -0.02
    32   1    -0.11  -0.11   0.21     0.04  -0.01   0.03    -0.04   0.01  -0.01
    33   1    -0.02  -0.02   0.09     0.11   0.02  -0.06    -0.07  -0.01   0.05
    34   1    -0.02  -0.01   0.03    -0.12   0.05   0.12     0.08  -0.02  -0.11
    35   1    -0.01  -0.02   0.04    -0.05  -0.09  -0.13     0.02   0.03   0.15
    36   1     0.00  -0.01   0.01     0.09  -0.01   0.08    -0.04   0.02  -0.13
    37   1     0.00   0.01   0.01     0.05   0.05   0.02    -0.03   0.02  -0.00
    38   1     0.01  -0.01   0.01    -0.03  -0.03  -0.07     0.05  -0.01   0.02
    39   1     0.00  -0.00   0.01     0.10   0.13  -0.21    -0.09   0.07  -0.25
    40   1    -0.00  -0.00   0.01    -0.07  -0.10   0.14     0.08  -0.12   0.19
    41  35    -0.00  -0.00   0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    42   1    -0.01   0.01  -0.02     0.19  -0.27   0.69     0.18  -0.36   0.72
                     55                     56                     57
                      A                      A                      A
 Frequencies --    938.8060               950.7624               952.9544
 Red. masses --      4.1303                 1.3158                 1.3181
 Frc consts  --      2.1448                 0.7008                 0.7052
 IR Inten    --      9.0743                 1.3880                 1.3299
 RamAct Fr= 1--      5.9712                16.9657                 8.2317
  Dep-P Fr= 1--      0.6850                 0.2619                 0.5388
  Dep-U Fr= 1--      0.8131                 0.4151                 0.7003
 Alpha2 Fr= 1--      0.0068                 0.1944                 0.0335
 Beta2  Fr= 1--      0.8092                 1.1738                 0.9608
 AlphaG Fr= 1--      0.0081                -1.9266                -0.3668
 Gamma2 Fr= 1--     -2.3119               -30.0596                -0.4989
 Delta2 Fr= 1--      1.4834                -9.6004                -0.2394
 Raman1 Fr= 1--      23.885                 67.863                 32.927
 ROA1   Fr= 1--    -174.473              -3192.935                -55.558
 CID1   Fr= 1--      -7.305                -47.050                 -1.687
 Raman2 Fr= 1--       9.710                 14.085                 11.529
 ROA2   Fr= 1--     -67.353               -644.628                -10.059
 CID2   Fr= 1--      -6.936                -45.766                 -0.872
 Raman3 Fr= 1--      19.420                 28.170                 23.059
 ROA3   Fr= 1--    -174.473              -3192.935                -55.558
 CID3   Fr= 1--      -8.984               -113.344                 -2.409
 RC180  Fr= 1--       0.626                 -0.170                  0.401
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   1    -0.02  -0.19  -0.11    -0.01  -0.03   0.01     0.08   0.08  -0.09
     2   6     0.08  -0.09  -0.03     0.01  -0.00  -0.00    -0.01  -0.02   0.02
     3   6    -0.01   0.05   0.04     0.00   0.01   0.01    -0.01  -0.01  -0.00
     4   1    -0.05   0.07   0.03    -0.02  -0.01   0.03     0.03   0.04  -0.05
     5   6    -0.08   0.01  -0.05    -0.02  -0.01   0.00     0.04   0.04  -0.05
     6   1    -0.06   0.06  -0.07     0.05   0.06  -0.07    -0.24  -0.24   0.30
     7   6     0.06  -0.06  -0.01     0.02  -0.01  -0.01    -0.03  -0.03   0.04
     8   1     0.07  -0.06   0.07    -0.01  -0.04   0.05     0.19   0.18  -0.24
     9   6     0.01   0.03   0.03     0.01   0.00  -0.00    -0.00   0.00   0.01
    10   6    -0.06   0.11   0.05    -0.01  -0.00   0.02     0.02   0.03  -0.04
    11   6     0.02  -0.04   0.02    -0.01  -0.00  -0.00     0.02   0.01  -0.00
    12   6    -0.04   0.12   0.03    -0.01   0.01  -0.01    -0.00   0.00   0.01
    13   6     0.01  -0.02   0.02     0.00  -0.00  -0.00     0.00   0.00  -0.00
    14   6     0.03  -0.16  -0.09     0.01   0.00  -0.02    -0.02  -0.04   0.04
    15   6    -0.03   0.19   0.00    -0.01   0.00  -0.00     0.00   0.01  -0.00
    16   6    -0.01  -0.03   0.04    -0.00  -0.00  -0.00     0.00   0.00   0.00
    17   6    -0.05  -0.02  -0.07     0.01   0.02  -0.02    -0.02  -0.02   0.03
    18   6    -0.00  -0.00   0.01    -0.01  -0.01   0.04     0.01   0.01  -0.04
    19   6    -0.03   0.13   0.03    -0.01  -0.01   0.01     0.01   0.02   0.01
    20   6    -0.02  -0.03   0.02    -0.00   0.00  -0.01     0.00   0.00  -0.01
    21   6    -0.00   0.00   0.00     0.01   0.01  -0.03    -0.01  -0.01   0.03
    22   6     0.08   0.01  -0.02     0.01  -0.02   0.04     0.00   0.01  -0.02
    23   6    -0.01  -0.05   0.02    -0.01   0.00  -0.02    -0.00   0.00  -0.01
    24   6     0.09  -0.15  -0.07     0.00  -0.03   0.05     0.00  -0.02   0.01
    25   6    -0.02   0.12   0.06     0.00   0.02  -0.05    -0.00   0.01  -0.00
    26   6    -0.04   0.02   0.01    -0.00   0.00   0.00    -0.00   0.00  -0.00
    27   6    -0.02  -0.07  -0.02     0.01  -0.02   0.06     0.00  -0.03   0.04
    28   6     0.09   0.05   0.01    -0.02   0.03  -0.07     0.00   0.03  -0.05
    29   6    -0.04   0.05   0.04     0.01  -0.01  -0.01    -0.01   0.01   0.00
    30   6    -0.02  -0.11  -0.09     0.01  -0.02   0.04    -0.00  -0.02   0.01
    31   1     0.13   0.27   0.13     0.07   0.08  -0.11    -0.16  -0.14   0.27
    32   1     0.12  -0.30   0.08    -0.05  -0.06   0.10     0.16   0.12  -0.27
    33   1    -0.13  -0.08   0.14    -0.05  -0.07   0.18     0.07   0.09  -0.23
    34   1     0.06   0.00  -0.03     0.07   0.09  -0.19    -0.08  -0.10   0.21
    35   1    -0.03  -0.02  -0.02    -0.04  -0.09   0.22     0.03   0.06  -0.15
    36   1     0.04  -0.04   0.16     0.07   0.08  -0.24    -0.03  -0.04   0.12
    37   1    -0.04  -0.33   0.04     0.01   0.11  -0.36    -0.00   0.01  -0.11
    38   1    -0.26   0.20  -0.00     0.00  -0.11   0.34    -0.01  -0.01   0.06
    39   1    -0.11  -0.06  -0.01    -0.05   0.15  -0.38    -0.06   0.10  -0.28
    40   1     0.08   0.08   0.02     0.06  -0.17   0.41     0.06  -0.11   0.29
    41  35     0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    42   1     0.17  -0.22   0.07    -0.05   0.10  -0.21    -0.02   0.03  -0.09
                     58                     59                     60
                      A                      A                      A
 Frequencies --    956.7392               961.3895               966.7778
 Red. masses --      1.3342                 1.3445                 1.3261
 Frc consts  --      0.7196                 0.7322                 0.7303
 IR Inten    --      0.1877                 1.8985                 0.8722
 RamAct Fr= 1--      2.0804                 1.8513                 2.4194
  Dep-P Fr= 1--      0.5554                 0.6388                 0.4934
  Dep-U Fr= 1--      0.7142                 0.7796                 0.6608
 Alpha2 Fr= 1--      0.0077                 0.0037                 0.0123
 Beta2  Fr= 1--      0.2476                 0.2405                 0.2664
 AlphaG Fr= 1--      0.0886                 0.0256                 0.0223
 Gamma2 Fr= 1--      5.6981                 5.0534               -12.5609
 Delta2 Fr= 1--     -0.9996                 3.8279                 2.5654
 Raman1 Fr= 1--       8.322                  7.405                  9.678
 ROA1   Fr= 1--     515.034                607.620              -1123.750
 CID1   Fr= 1--      61.891                 82.054               -116.119
 Raman2 Fr= 1--       2.972                  2.886                  3.197
 ROA2   Fr= 1--     144.751                 90.659               -321.984
 CID2   Fr= 1--      48.713                 31.408               -100.706
 Raman3 Fr= 1--       5.943                  5.773                  6.395
 ROA3   Fr= 1--     515.034                607.620              -1123.750
 CID3   Fr= 1--      86.661                105.253               -175.737
 RC180  Fr= 1--       0.428                  0.559                  0.322
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   1     0.07   0.07  -0.08    -0.04  -0.05   0.03    -0.02  -0.02   0.02
     2   6    -0.01  -0.02   0.02     0.01   0.00  -0.01     0.01   0.01  -0.01
     3   6    -0.00   0.00   0.01     0.00   0.01   0.00     0.01   0.01   0.00
     4   1     0.04   0.04  -0.03    -0.02  -0.01   0.02    -0.03  -0.04   0.05
     5   6     0.03   0.04  -0.05    -0.02  -0.02   0.02    -0.02  -0.02   0.02
     6   1    -0.24  -0.24   0.28     0.11   0.12  -0.14     0.11   0.11  -0.14
     7   6    -0.02  -0.04   0.04     0.02   0.01  -0.03     0.02   0.01  -0.02
     8   1     0.22   0.19  -0.24    -0.11  -0.12   0.15    -0.10  -0.11   0.14
     9   6     0.00   0.00   0.00    -0.01  -0.00   0.01    -0.00  -0.00   0.01
    10   6     0.00   0.01  -0.01     0.02   0.03  -0.03     0.03   0.03  -0.05
    11   6     0.01   0.01  -0.01    -0.01  -0.01   0.01    -0.01  -0.01   0.01
    12   6    -0.02   0.01  -0.01    -0.00   0.01  -0.00    -0.01  -0.00  -0.01
    13   6     0.00   0.00  -0.01     0.00  -0.00   0.01     0.00   0.00  -0.01
    14   6    -0.01  -0.01   0.02    -0.01  -0.03   0.02    -0.02  -0.02   0.05
    15   6    -0.01   0.00  -0.00    -0.00   0.02   0.00    -0.00   0.00  -0.00
    16   6    -0.00  -0.00  -0.00     0.01   0.01  -0.02    -0.00   0.00  -0.01
    17   6     0.02   0.02  -0.03    -0.03  -0.03   0.05     0.00   0.00  -0.00
    18   6    -0.01  -0.02   0.05     0.02   0.03  -0.05    -0.00  -0.00   0.02
    19   6    -0.01  -0.01  -0.00     0.01   0.01  -0.00    -0.01  -0.00   0.02
    20   6    -0.01  -0.00   0.01    -0.00  -0.00   0.00    -0.00  -0.00   0.01
    21   6     0.01   0.02  -0.06     0.00   0.02  -0.04     0.01   0.02  -0.05
    22   6     0.01  -0.02   0.05    -0.00  -0.02   0.05    -0.00  -0.02   0.04
    23   6    -0.00  -0.01   0.01     0.00  -0.01   0.01    -0.00   0.01  -0.02
    24   6     0.00  -0.00   0.00     0.01  -0.03   0.04     0.00   0.02  -0.07
    25   6    -0.00   0.00  -0.02    -0.00   0.03  -0.05    -0.00  -0.02   0.07
    26   6     0.00   0.00   0.01    -0.00  -0.00   0.01     0.00   0.00  -0.01
    27   6    -0.00   0.02  -0.04    -0.01   0.00  -0.04     0.00  -0.01   0.03
    28   6    -0.00  -0.02   0.04     0.01  -0.01   0.03    -0.00   0.01  -0.02
    29   6     0.01  -0.01  -0.00    -0.01   0.01   0.01     0.00   0.00  -0.01
    30   6     0.00   0.01  -0.02    -0.01  -0.00  -0.02     0.00  -0.01   0.02
    31   1    -0.04  -0.03   0.06    -0.12  -0.10   0.22    -0.19  -0.17   0.28
    32   1     0.08   0.05  -0.11     0.10   0.06  -0.16     0.16   0.14  -0.28
    33   1    -0.07  -0.09   0.24     0.11   0.12  -0.35    -0.01  -0.02   0.03
    34   1     0.11   0.13  -0.28    -0.12  -0.13   0.31     0.04   0.04  -0.08
    35   1    -0.06  -0.13   0.34    -0.04  -0.07   0.22    -0.04  -0.10   0.29
    36   1     0.09   0.11  -0.31     0.07   0.09  -0.29     0.06   0.09  -0.25
    37   1     0.01   0.01  -0.02     0.00   0.07  -0.31    -0.00  -0.13   0.40
    38   1    -0.01  -0.03   0.09    -0.00  -0.11   0.35    -0.03   0.14  -0.39
    39   1     0.05  -0.09   0.25     0.02  -0.09   0.20    -0.03   0.07  -0.17
    40   1    -0.05   0.10  -0.24    -0.02   0.08  -0.17     0.03  -0.06   0.15
    41  35    -0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    42   1     0.03  -0.04   0.10     0.03  -0.05   0.07    -0.03   0.05  -0.12
                     61                     62                     63
                      A                      A                      A
 Frequencies --    969.1075               992.4140              1016.1116
 Red. masses --      1.3416                 1.3112                 5.2684
 Frc consts  --      0.7424                 0.7609                 3.2049
 IR Inten    --      0.0444                 0.7215                 6.8018
 RamAct Fr= 1--      1.2728                 2.4877                18.3715
  Dep-P Fr= 1--      0.6663                 0.3792                 0.6291
  Dep-U Fr= 1--      0.7997                 0.5499                 0.7724
 Alpha2 Fr= 1--      0.0019                 0.0198                 0.0404
 Beta2  Fr= 1--      0.1697                 0.2280                 2.3649
 AlphaG Fr= 1--     -0.0226                -0.4670                 0.0449
 Gamma2 Fr= 1--     -0.2101                -5.9941               -28.8170
 Delta2 Fr= 1--      0.8033                 0.9004                 1.0343
 Raman1 Fr= 1--       5.091                  9.951                 73.486
 ROA1   Fr= 1--       5.540               -546.625              -2733.334
 CID1   Fr= 1--       1.088                -54.933                -37.195
 Raman2 Fr= 1--       2.036                  2.736                 28.379
 ROA2   Fr= 1--     -11.468               -151.062               -699.882
 CID2   Fr= 1--      -5.633                -55.212                -24.662
 Raman3 Fr= 1--       4.072                  5.472                 56.758
 ROA3   Fr= 1--       5.540               -546.625              -2733.334
 CID3   Fr= 1--       1.361                -99.894                -48.158
 RC180  Fr= 1--       0.599                  0.100                  0.545
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   1    -0.02  -0.02   0.02     0.44   0.44  -0.42     0.07   0.12  -0.05
     2   6     0.00   0.01  -0.01    -0.05  -0.08   0.07    -0.02   0.01   0.03
     3   6     0.00   0.00  -0.01     0.05   0.05  -0.08     0.03   0.13   0.12
     4   1    -0.03  -0.04   0.03    -0.32  -0.37   0.37     0.03   0.07   0.18
     5   6    -0.01  -0.02   0.02    -0.03  -0.00   0.01     0.01  -0.01  -0.02
     6   1     0.10   0.10  -0.11     0.06   0.11  -0.10     0.02  -0.09  -0.02
     7   6     0.01   0.02  -0.02    -0.01   0.00   0.01     0.09  -0.10  -0.00
     8   1    -0.10  -0.09   0.12     0.01   0.01   0.03     0.11  -0.10   0.01
     9   6    -0.00  -0.00   0.01     0.01   0.01  -0.01    -0.00  -0.01  -0.00
    10   6     0.03   0.03  -0.05    -0.00   0.00   0.00    -0.00  -0.00   0.00
    11   6    -0.01  -0.01   0.01     0.02   0.01  -0.00    -0.13   0.00  -0.14
    12   6     0.01   0.01  -0.01    -0.00   0.00   0.02    -0.14  -0.10  -0.15
    13   6     0.00   0.01  -0.01     0.00   0.00  -0.00    -0.01  -0.04  -0.01
    14   6    -0.03  -0.03   0.05     0.00  -0.01  -0.00     0.00   0.07   0.03
    15   6    -0.00  -0.01   0.01     0.00  -0.00  -0.00     0.01  -0.05   0.07
    16   6    -0.00  -0.01   0.01    -0.00   0.00   0.00     0.01  -0.02  -0.00
    17   6     0.02   0.03  -0.05     0.00   0.00   0.00    -0.07  -0.04  -0.05
    18   6    -0.02  -0.03   0.06    -0.00  -0.01  -0.01     0.09   0.12   0.10
    19   6    -0.00   0.00  -0.01    -0.00  -0.00   0.00     0.23   0.01  -0.02
    20   6     0.00   0.00  -0.01     0.00   0.00  -0.00     0.03  -0.03   0.01
    21   6    -0.01  -0.02   0.05     0.00  -0.00   0.00    -0.15   0.07   0.01
    22   6     0.01   0.02  -0.05    -0.00  -0.00   0.00     0.06  -0.01  -0.00
    23   6    -0.00  -0.01   0.01     0.00  -0.00   0.01     0.15   0.08  -0.00
    24   6    -0.00  -0.01   0.04    -0.00   0.00   0.00    -0.03   0.05   0.01
    25   6     0.00   0.01  -0.03     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    26   6    -0.00   0.00   0.00     0.00   0.00  -0.00    -0.00  -0.02   0.00
    27   6     0.00   0.01  -0.01    -0.00  -0.00  -0.00    -0.05  -0.13  -0.04
    28   6    -0.00  -0.01   0.01    -0.00  -0.00   0.00     0.07   0.04   0.00
    29   6     0.00  -0.00  -0.00     0.00  -0.00   0.00    -0.15   0.09   0.07
    30   6     0.00   0.01  -0.01    -0.00   0.00  -0.01    -0.07  -0.02   0.00
    31   1    -0.19  -0.18   0.29     0.02   0.02  -0.02    -0.10  -0.08  -0.11
    32   1     0.18   0.16  -0.31     0.01  -0.01   0.00    -0.02   0.08   0.04
    33   1    -0.11  -0.11   0.32     0.00   0.02  -0.01    -0.02  -0.35  -0.06
    34   1     0.14   0.13  -0.32    -0.01  -0.01   0.01     0.25   0.08   0.11
    35   1     0.04   0.09  -0.29     0.00   0.00   0.00    -0.21   0.03  -0.06
    36   1    -0.07  -0.09   0.30    -0.00   0.00  -0.00     0.11  -0.29   0.01
    37   1     0.00   0.07  -0.23     0.00   0.00  -0.01    -0.02   0.07   0.02
    38   1     0.01  -0.07   0.21     0.00  -0.00   0.01     0.16  -0.04  -0.01
    39   1     0.02  -0.03   0.08     0.00  -0.00   0.01    -0.21  -0.10  -0.02
    40   1    -0.01   0.03  -0.06    -0.00   0.01  -0.01     0.08   0.01   0.02
    41  35    -0.00   0.00   0.00     0.00   0.00  -0.00     0.01  -0.00  -0.00
    42   1     0.02  -0.02   0.05     0.01  -0.01   0.03    -0.18  -0.01   0.05
                     64                     65                     66
                      A                      A                      A
 Frequencies --   1063.0745              1074.6903              1105.5123
 Red. masses --      2.4499                 2.9125                 2.3834
 Frc consts  --      1.6313                 1.9819                 1.7162
 IR Inten    --      3.3335                 0.5562                15.2292
 RamAct Fr= 1--     26.3149                61.5837                81.8293
  Dep-P Fr= 1--      0.2156                 0.0934                 0.1619
  Dep-U Fr= 1--      0.3547                 0.1708                 0.2787
 Alpha2 Fr= 1--      0.3428                 1.0958                 1.2271
 Beta2  Fr= 1--      1.5558                 1.7532                 3.8012
 AlphaG Fr= 1--     -2.7480                 5.8999                -1.9374
 Gamma2 Fr= 1--     -6.5191               -22.9291               -19.0730
 Delta2 Fr= 1--     -0.2352                 3.9904                 1.2873
 Raman1 Fr= 1--     105.260                246.335                327.317
 ROA1   Fr= 1--    -633.356              -2073.503              -1789.813
 CID1   Fr= 1--      -6.017                 -8.417                 -5.468
 Raman2 Fr= 1--      18.669                 21.038                 45.614
 ROA2   Fr= 1--    -154.575               -582.223               -468.051
 CID2   Fr= 1--      -8.280                -27.674                -10.261
 Raman3 Fr= 1--      37.338                 42.077                 91.228
 ROA3   Fr= 1--    -633.356              -2073.503              -1789.813
 CID3   Fr= 1--     -16.963                -49.279                -19.619
 RC180  Fr= 1--      -0.291                 -0.658                 -0.443
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   1    -0.22   0.03  -0.42    -0.07  -0.11  -0.19    -0.02   0.02  -0.02
     2   6    -0.12   0.05  -0.03     0.02  -0.06  -0.04    -0.02   0.02   0.00
     3   6    -0.05   0.15   0.08    -0.04   0.09   0.04     0.00  -0.01  -0.01
     4   1    -0.27   0.23   0.05    -0.28   0.20  -0.02     0.04  -0.03   0.00
     5   6     0.18  -0.07   0.07     0.04  -0.01   0.02     0.01  -0.01   0.00
     6   1     0.29  -0.34  -0.05     0.03   0.03   0.05     0.04  -0.07  -0.03
     7   6    -0.00  -0.06  -0.05     0.07  -0.10  -0.03    -0.02   0.03   0.00
     8   1    -0.24  -0.25  -0.36    -0.04  -0.19  -0.16    -0.02   0.03   0.01
     9   6    -0.03  -0.01  -0.03    -0.04   0.04  -0.01     0.01  -0.02  -0.00
    10   6    -0.00   0.00   0.01     0.02  -0.00   0.01    -0.01   0.01   0.00
    11   6     0.03  -0.04  -0.03    -0.03   0.02   0.02     0.02  -0.02   0.00
    12   6     0.03  -0.05   0.02    -0.01   0.15   0.04     0.01  -0.03   0.01
    13   6     0.01  -0.01  -0.00     0.01   0.08   0.04     0.00  -0.02  -0.01
    14   6     0.01   0.03   0.02     0.01  -0.10  -0.04    -0.00   0.02   0.01
    15   6     0.03   0.02   0.00    -0.01   0.00  -0.01    -0.01   0.02  -0.00
    16   6    -0.00   0.01  -0.00     0.04   0.01   0.01    -0.02   0.00  -0.01
    17   6    -0.01  -0.00  -0.00    -0.02   0.00   0.00     0.01  -0.00   0.00
    18   6     0.00   0.01   0.01    -0.03  -0.07  -0.05     0.00   0.01   0.01
    19   6    -0.06   0.06   0.01     0.05  -0.14  -0.02    -0.01   0.03   0.01
    20   6    -0.02   0.03   0.01     0.05  -0.07  -0.02    -0.02   0.02   0.01
    21   6     0.05  -0.03  -0.00    -0.07   0.05   0.01     0.01  -0.01  -0.00
    22   6    -0.02   0.00  -0.00    -0.01  -0.01  -0.01     0.02   0.00   0.00
    23   6    -0.03  -0.00   0.02    -0.00  -0.05  -0.04     0.03  -0.05  -0.02
    24   6     0.03  -0.04  -0.01    -0.06   0.09   0.03     0.01  -0.02  -0.01
    25   6    -0.00   0.00  -0.00     0.01   0.01   0.01    -0.01   0.00   0.00
    26   6    -0.00   0.01   0.00     0.00  -0.04  -0.01     0.03   0.02   0.00
    27   6    -0.00   0.00   0.00     0.03   0.05   0.02     0.02  -0.08  -0.04
    28   6     0.01   0.01   0.01    -0.05  -0.06  -0.02    -0.14  -0.10  -0.03
    29   6     0.03  -0.02  -0.02    -0.03   0.03   0.02    -0.12   0.19   0.11
    30   6     0.00  -0.03  -0.02     0.02   0.09   0.05     0.09   0.06   0.02
    31   1    -0.01   0.00  -0.02     0.21   0.15   0.25    -0.06  -0.03  -0.06
    32   1     0.02   0.03   0.03    -0.08  -0.05  -0.09     0.06  -0.01   0.03
    33   1     0.00  -0.04  -0.01    -0.08   0.28   0.06     0.03  -0.08  -0.02
    34   1     0.00   0.01   0.00     0.06  -0.12  -0.01    -0.07   0.04  -0.02
    35   1     0.07  -0.01   0.01     0.02   0.13   0.03    -0.05  -0.07  -0.03
    36   1    -0.06   0.13   0.02     0.06  -0.26  -0.06    -0.01   0.08   0.03
    37   1     0.04  -0.03  -0.01    -0.13   0.02   0.01     0.04   0.01   0.00
    38   1    -0.13   0.02   0.02     0.30  -0.04  -0.05    -0.16   0.03   0.02
    39   1    -0.02   0.00   0.01     0.13   0.04  -0.00     0.47  -0.15  -0.12
    40   1    -0.01   0.08   0.03     0.01  -0.26  -0.12    -0.09  -0.29  -0.11
    41  35    -0.00   0.00   0.00     0.00  -0.00  -0.00     0.01  -0.01  -0.00
    42   1     0.03  -0.05  -0.00     0.07   0.12  -0.02     0.61   0.06  -0.22
                     67                     68                     69
                      A                      A                      A
 Frequencies --   1124.4652              1147.3298              1170.5284
 Red. masses --      3.1012                 1.7852                 1.3741
 Frc consts  --      2.3104                 1.3845                 1.1093
 IR Inten    --      4.0035                 9.9911                 4.3620
 RamAct Fr= 1--     27.7231                 1.4761                13.3113
  Dep-P Fr= 1--      0.1156                 0.4488                 0.7304
  Dep-U Fr= 1--      0.2073                 0.6196                 0.8442
 Alpha2 Fr= 1--      0.4671                 0.0091                 0.0045
 Beta2  Fr= 1--      0.9576                 0.1524                 1.8728
 AlphaG Fr= 1--     -0.2735                -0.0724                -0.0382
 Gamma2 Fr= 1--     10.8078                 1.0436               -18.1168
 Delta2 Fr= 1--      4.0142                 0.3695                 0.7176
 Raman1 Fr= 1--     110.892                  5.905                 53.245
 ROA1   Fr= 1--    1166.003                112.010              -1716.254
 CID1   Fr= 1--      10.515                 18.970                -32.233
 Raman2 Fr= 1--      11.491                  1.829                 22.474
 ROA2   Fr= 1--     227.274                 22.090               -440.544
 CID2   Fr= 1--      19.778                 12.077                -19.603
 Raman3 Fr= 1--      22.982                  3.658                 44.948
 ROA3   Fr= 1--    1166.003                112.010              -1716.254
 CID3   Fr= 1--      50.734                 30.618                -38.183
 RC180  Fr= 1--      -0.585                  0.239                  0.688
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   1     0.18   0.09   0.23     0.12  -0.03   0.13    -0.12  -0.04  -0.16
     2   6     0.03  -0.02   0.02     0.07  -0.06   0.01    -0.04   0.01  -0.02
     3   6     0.02   0.02   0.03    -0.02   0.02   0.00     0.03  -0.01   0.01
     4   1     0.05   0.00   0.05    -0.22   0.12  -0.07     0.22  -0.12   0.09
     5   6    -0.04   0.01  -0.02    -0.02   0.03   0.01     0.00   0.00   0.00
     6   1    -0.08   0.11   0.03    -0.14   0.33   0.17     0.03  -0.06  -0.03
     7   6     0.06  -0.04   0.02     0.05  -0.08  -0.02    -0.02   0.02   0.00
     8   1     0.14   0.02   0.12    -0.04  -0.15  -0.15    -0.02   0.03   0.00
     9   6    -0.03   0.01  -0.01    -0.05   0.05  -0.01     0.03  -0.00   0.03
    10   6     0.01  -0.01   0.00     0.03  -0.04  -0.00    -0.02   0.00  -0.01
    11   6    -0.12   0.02  -0.11    -0.04   0.05   0.01     0.02  -0.02   0.01
    12   6    -0.04  -0.08  -0.03     0.03  -0.01   0.00    -0.04   0.03  -0.02
    13   6    -0.00  -0.02  -0.01     0.01   0.02   0.01    -0.03   0.03  -0.01
    14   6    -0.00   0.02   0.01    -0.01   0.01   0.00     0.02  -0.03  -0.00
    15   6     0.18   0.04   0.06     0.02  -0.08  -0.00    -0.01  -0.04  -0.01
    16   6     0.11   0.02   0.04     0.00  -0.02  -0.01     0.03  -0.03   0.00
    17   6    -0.11  -0.05  -0.05     0.01   0.02   0.01    -0.02   0.03   0.01
    18   6     0.04   0.03   0.03    -0.01  -0.02  -0.01     0.04  -0.02   0.01
    19   6    -0.07   0.06  -0.01    -0.01  -0.00  -0.01     0.01   0.00  -0.00
    20   6    -0.01   0.01   0.00    -0.03   0.03   0.00     0.03   0.01  -0.00
    21   6     0.06  -0.01   0.01     0.03  -0.02  -0.00    -0.02  -0.01  -0.01
    22   6    -0.12   0.00  -0.03    -0.02   0.02   0.00    -0.02   0.02   0.00
    23   6    -0.14  -0.08   0.01     0.01   0.04   0.02    -0.04   0.01   0.02
    24   6     0.01  -0.02  -0.01     0.02  -0.00   0.00    -0.03   0.00  -0.00
    25   6     0.01   0.02   0.01    -0.01  -0.04  -0.02     0.03  -0.02  -0.01
    26   6    -0.03  -0.03  -0.01     0.02   0.07   0.02    -0.01   0.03   0.01
    27   6     0.04   0.07   0.02    -0.01  -0.07  -0.03     0.04  -0.03  -0.02
    28   6    -0.04  -0.03  -0.01    -0.01   0.03   0.01    -0.02   0.04   0.02
    29   6     0.05  -0.03  -0.02    -0.02   0.03   0.02    -0.00  -0.00  -0.00
    30   6     0.04   0.03   0.00    -0.01  -0.06  -0.03    -0.01  -0.03  -0.01
    31   1     0.00  -0.02  -0.01     0.14   0.05   0.11    -0.07  -0.04  -0.08
    32   1    -0.06   0.05  -0.02    -0.27   0.14  -0.09     0.18  -0.12   0.06
    33   1    -0.11  -0.03  -0.05    -0.02   0.15   0.05    -0.09   0.35   0.08
    34   1     0.44  -0.13   0.15    -0.03  -0.01  -0.02     0.36  -0.15   0.11
    35   1     0.37   0.28   0.13    -0.01  -0.05  -0.02    -0.04  -0.03   0.00
    36   1    -0.12  -0.02  -0.03    -0.08   0.21   0.04    -0.02   0.06  -0.01
    37   1    -0.06  -0.09  -0.02     0.24   0.23   0.08    -0.12  -0.09  -0.02
    38   1     0.00   0.02   0.01    -0.26   0.00   0.01     0.22  -0.06  -0.04
    39   1     0.15   0.06   0.00     0.20  -0.11  -0.07     0.40  -0.09  -0.10
    40   1     0.00  -0.13  -0.06    -0.11   0.33   0.17    -0.15   0.40   0.20
    41  35    -0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    42   1     0.31  -0.00  -0.06     0.05  -0.07  -0.03     0.02  -0.04  -0.01
                     70                     71                     72
                      A                      A                      A
 Frequencies --   1172.0035              1181.8128              1183.1430
 Red. masses --      1.3159                 1.1975                 1.1735
 Frc consts  --      1.0649                 0.9854                 0.9678
 IR Inten    --      3.0158                 2.7022                 0.7606
 RamAct Fr= 1--      5.7614                19.2228                15.6416
  Dep-P Fr= 1--      0.4964                 0.0996                 0.2140
  Dep-U Fr= 1--      0.6635                 0.1811                 0.3526
 Alpha2 Fr= 1--      0.0289                 0.3369                 0.2046
 Beta2  Fr= 1--      0.6371                 0.5801                 0.9191
 AlphaG Fr= 1--      0.0097                -0.9437                -0.6667
 Gamma2 Fr= 1--     -5.3923                 5.4843                -5.0317
 Delta2 Fr= 1--      1.6111                -0.5712                -2.6224
 Raman1 Fr= 1--      23.046                 76.891                 62.566
 ROA1   Fr= 1--    -466.104                508.215               -566.966
 CID1   Fr= 1--     -20.225                  6.610                 -9.062
 Raman2 Fr= 1--       7.645                  6.962                 11.029
 ROA2   Fr= 1--    -142.304                136.192                -99.782
 CID2   Fr= 1--     -18.614                 19.563                 -9.047
 Raman3 Fr= 1--      15.290                 13.923                 22.058
 ROA3   Fr= 1--    -466.104                508.215               -566.966
 CID3   Fr= 1--     -30.485                 36.501                -25.704
 RC180  Fr= 1--       0.327                 -0.638                 -0.295
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   1     0.04  -0.02   0.04    -0.09  -0.04  -0.14     0.03   0.03   0.03
     2   6     0.03  -0.02   0.00    -0.02   0.00  -0.02    -0.00   0.00   0.00
     3   6     0.00  -0.00  -0.00     0.02  -0.00   0.02    -0.01   0.01   0.00
     4   1    -0.06   0.02  -0.02     0.22  -0.11   0.10    -0.05   0.03  -0.02
     5   6    -0.01   0.04   0.03    -0.01   0.00   0.00    -0.00  -0.03  -0.02
     6   1    -0.14   0.39   0.21    -0.01   0.03   0.01     0.07  -0.22  -0.13
     7   6    -0.01  -0.04  -0.04    -0.00   0.01   0.00     0.02   0.01   0.03
     8   1    -0.21  -0.20  -0.33    -0.02   0.00  -0.01     0.15   0.11   0.21
     9   6    -0.01   0.02   0.01     0.01   0.01   0.02    -0.01   0.01  -0.00
    10   6    -0.02  -0.02  -0.02    -0.00  -0.00  -0.00     0.03  -0.00   0.01
    11   6     0.01   0.03   0.03     0.00  -0.01  -0.01    -0.02  -0.01  -0.02
    12   6    -0.00   0.00  -0.01    -0.02  -0.01  -0.02     0.01  -0.02   0.00
    13   6    -0.02  -0.02  -0.02    -0.01   0.03   0.01     0.00   0.01   0.00
    14   6     0.03   0.02   0.02     0.00  -0.02  -0.01    -0.03   0.00  -0.02
    15   6     0.02  -0.01   0.01    -0.00  -0.03  -0.00     0.02  -0.01   0.01
    16   6    -0.01  -0.03  -0.01     0.01   0.00   0.00    -0.01   0.00  -0.00
    17   6     0.00   0.01   0.01    -0.02   0.03   0.01     0.00   0.01   0.00
    18   6     0.02   0.01   0.01     0.02  -0.03  -0.00    -0.00  -0.01  -0.00
    19   6     0.02   0.04   0.01     0.00  -0.01  -0.00     0.02   0.01   0.00
    20   6     0.02   0.02   0.01    -0.01   0.02   0.00    -0.01   0.01   0.00
    21   6    -0.02  -0.02  -0.01     0.01  -0.02  -0.01    -0.01  -0.04  -0.02
    22   6     0.00   0.03   0.01    -0.01   0.01   0.00     0.01   0.04   0.02
    23   6    -0.01  -0.01   0.00     0.03  -0.01  -0.01    -0.00   0.01   0.00
    24   6    -0.01  -0.03  -0.01     0.04   0.00   0.00    -0.02  -0.02  -0.01
    25   6     0.02   0.02   0.01    -0.03  -0.01  -0.00     0.03   0.02   0.01
    26   6    -0.03  -0.03  -0.00    -0.00   0.01   0.00    -0.01  -0.02  -0.00
    27   6     0.01   0.03   0.01    -0.04   0.01   0.01     0.01   0.01   0.00
    28   6     0.00  -0.01  -0.00     0.03  -0.03  -0.02    -0.00   0.00   0.00
    29   6    -0.01  -0.01  -0.00    -0.00   0.01   0.01    -0.01  -0.01  -0.00
    30   6     0.02   0.03   0.00     0.01   0.01   0.00     0.01   0.01   0.00
    31   1    -0.18  -0.16  -0.22     0.02   0.02   0.02     0.21   0.15   0.23
    32   1     0.21  -0.08   0.10    -0.02  -0.02  -0.00    -0.31   0.14  -0.12
    33   1     0.02  -0.01  -0.02    -0.10   0.37   0.10    -0.00   0.04   0.01
    34   1    -0.00   0.01   0.02     0.36  -0.16   0.09     0.01  -0.02  -0.00
    35   1    -0.22  -0.21  -0.09    -0.09  -0.11  -0.05    -0.30  -0.31  -0.14
    36   1    -0.07   0.27   0.06    -0.06   0.18   0.04    -0.11   0.44   0.12
    37   1    -0.20  -0.24  -0.07     0.24   0.22   0.07    -0.19  -0.21  -0.06
    38   1     0.21  -0.02  -0.02    -0.34   0.06   0.03     0.25  -0.03  -0.02
    39   1    -0.09   0.04   0.03    -0.33   0.05   0.08    -0.01   0.01   0.00
    40   1     0.07  -0.19  -0.09     0.13  -0.32  -0.16     0.02  -0.05  -0.02
    41  35     0.00   0.00   0.00     0.00   0.00   0.00     0.00  -0.00  -0.00
    42   1     0.03   0.02   0.01    -0.00   0.02  -0.00     0.01   0.01   0.01
                     73                     74                     75
                      A                      A                      A
 Frequencies --   1188.2491              1210.7502              1219.5259
 Red. masses --      1.2217                 3.3310                 1.8274
 Frc consts  --      1.0163                 2.8770                 1.6012
 IR Inten    --      0.9620                 0.2533                 1.8968
 RamAct Fr= 1--      6.8983                30.2031               233.3411
  Dep-P Fr= 1--      0.2787                 0.1580                 0.0817
  Dep-U Fr= 1--      0.4359                 0.2729                 0.1510
 Alpha2 Fr= 1--      0.0753                 0.4575                 4.2716
 Beta2  Fr= 1--      0.5011                 1.3736                 5.8740
 AlphaG Fr= 1--      0.0090                -0.3869                -3.8061
 Gamma2 Fr= 1--     -0.9328                -0.5202                66.4222
 Delta2 Fr= 1--      0.9799                -7.9954               -14.9655
 Raman1 Fr= 1--      27.593                120.812                933.364
 ROA1   Fr= 1--     -58.195               -305.796               5897.634
 CID1   Fr= 1--      -2.109                 -2.531                  6.319
 Raman2 Fr= 1--       6.013                 16.484                 70.488
 ROA2   Fr= 1--     -30.226                 51.477               1713.856
 CID2   Fr= 1--      -5.026                  3.123                 24.314
 Raman3 Fr= 1--      12.027                 32.967                140.977
 ROA3   Fr= 1--     -58.195               -305.796               5897.634
 CID3   Fr= 1--      -4.839                 -9.276                 41.834
 RC180  Fr= 1--      -0.128                 -0.454                 -0.698
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   1    -0.18  -0.11  -0.31    -0.02   0.01  -0.02    -0.04  -0.00  -0.04
     2   6    -0.03   0.00  -0.02     0.00   0.02   0.02    -0.02   0.01  -0.01
     3   6     0.04  -0.01   0.02     0.01   0.00   0.01     0.01   0.00   0.01
     4   1     0.45  -0.23   0.19     0.28  -0.13   0.10     0.10  -0.04   0.05
     5   6    -0.01   0.02   0.01     0.01   0.02   0.02     0.01   0.00   0.01
     6   1    -0.10   0.26   0.13    -0.13   0.38   0.21     0.01  -0.00   0.01
     7   6    -0.01   0.01  -0.00    -0.00  -0.00  -0.00     0.01  -0.00   0.00
     8   1    -0.13  -0.09  -0.18    -0.11  -0.09  -0.15     0.05   0.03   0.06
     9   6     0.00   0.04   0.03    -0.03  -0.03  -0.05    -0.00  -0.02  -0.02
    10   6     0.04  -0.02   0.01    -0.03   0.04   0.01    -0.00  -0.00  -0.00
    11   6     0.03  -0.03   0.01    -0.00  -0.04  -0.05    -0.02  -0.00  -0.02
    12   6    -0.02  -0.02  -0.02     0.04  -0.10   0.01    -0.02   0.09   0.02
    13   6    -0.04   0.03  -0.01     0.12  -0.04   0.05    -0.08   0.04  -0.02
    14   6    -0.02  -0.01  -0.02    -0.00   0.04   0.01     0.01  -0.03  -0.01
    15   6     0.02  -0.00   0.01    -0.04   0.12  -0.01     0.13   0.04   0.05
    16   6     0.00  -0.02  -0.00    -0.04   0.19   0.04    -0.02   0.03   0.00
    17   6     0.03  -0.02   0.00    -0.06  -0.02  -0.03     0.01  -0.02   0.00
    18   6    -0.01   0.03   0.01    -0.01  -0.06  -0.03    -0.01   0.01   0.01
    19   6    -0.00   0.02   0.00    -0.08  -0.06   0.00     0.03  -0.11  -0.02
    20   6     0.01   0.01   0.00    -0.13  -0.12  -0.03    -0.08  -0.08  -0.03
    21   6    -0.00   0.01   0.00     0.07  -0.05  -0.01     0.02  -0.02  -0.01
    22   6    -0.01  -0.01  -0.00     0.08   0.00   0.02     0.02   0.02   0.01
    23   6    -0.01  -0.00   0.00     0.09   0.01  -0.02    -0.02  -0.03  -0.01
    24   6    -0.00  -0.01  -0.00    -0.04   0.04   0.01    -0.01   0.04   0.01
    25   6     0.00   0.00   0.00     0.02   0.07   0.03    -0.00   0.01   0.00
    26   6    -0.01  -0.01  -0.00     0.14  -0.04  -0.03    -0.01   0.01   0.00
    27   6     0.01   0.00   0.00    -0.01  -0.03  -0.01     0.01   0.01   0.00
    28   6    -0.00   0.00   0.00    -0.04  -0.01   0.00     0.01   0.00   0.00
    29   6     0.00  -0.00  -0.00     0.02   0.04   0.02     0.01  -0.01  -0.01
    30   6     0.00   0.00  -0.00    -0.04  -0.00   0.01    -0.02  -0.00   0.00
    31   1     0.23   0.14   0.22    -0.06   0.02  -0.02    -0.01  -0.01  -0.01
    32   1    -0.32   0.12  -0.11    -0.09   0.09  -0.02     0.35  -0.20   0.10
    33   1     0.10  -0.27  -0.07    -0.12   0.12   0.05     0.13  -0.43  -0.15
    34   1    -0.16   0.09  -0.03     0.28  -0.17   0.01    -0.10   0.05  -0.01
    35   1     0.07   0.08   0.04     0.02  -0.10  -0.06    -0.11  -0.15  -0.08
    36   1     0.02  -0.08  -0.02     0.06   0.05   0.07    -0.11   0.42   0.15
    37   1    -0.05  -0.06  -0.02    -0.18  -0.09  -0.06     0.27   0.34   0.12
    38   1     0.04  -0.01  -0.01     0.25   0.03   0.02    -0.04   0.02   0.01
    39   1     0.03   0.00  -0.00    -0.01  -0.04  -0.01     0.13  -0.01  -0.02
    40   1    -0.00  -0.00  -0.00    -0.12   0.23   0.12    -0.03   0.11   0.05
    41  35    -0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    42   1     0.03  -0.00  -0.01    -0.22   0.02   0.05    -0.03  -0.00   0.00
                     76                     77                     78
                      A                      A                      A
 Frequencies --   1231.0131              1239.9966              1247.4342
 Red. masses --      2.4541                 2.3111                 1.9393
 Frc consts  --      2.1911                 2.0937                 1.7780
 IR Inten    --      1.8501                 0.1697                 1.3616
 RamAct Fr= 1--    116.1987                82.5830                 8.4518
  Dep-P Fr= 1--      0.2742                 0.2127                 0.7484
  Dep-U Fr= 1--      0.4304                 0.3508                 0.8561
 Alpha2 Fr= 1--      1.2857                 1.0840                 0.0002
 Beta2  Fr= 1--      8.3347                 4.8290                 1.2060
 AlphaG Fr= 1--     -2.4407                -3.6605                 0.0067
 Gamma2 Fr= 1--    -15.7708                -1.3119               -42.8913
 Delta2 Fr= 1--    -16.6268                -6.7953                -3.1631
 Raman1 Fr= 1--     464.795                330.332                 33.807
 ROA1   Fr= 1--   -2046.057               -343.394              -4218.788
 CID1   Fr= 1--      -4.402                 -1.040               -124.789
 Raman2 Fr= 1--     100.016                 57.948                 14.472
 ROA2   Fr= 1--    -245.486                 22.876              -1004.087
 CID2   Fr= 1--      -2.454                  0.395                -69.383
 Raman3 Fr= 1--     200.033                115.895                 28.943
 ROA3   Fr= 1--   -2046.057               -343.394              -4218.788
 CID3   Fr= 1--     -10.229                 -2.963               -145.761
 RC180  Fr= 1--      -0.139                 -0.298                  0.712
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   1     0.04   0.05   0.06     0.10   0.02   0.14    -0.08  -0.10  -0.16
     2   6     0.00   0.02   0.02     0.02  -0.02  -0.01     0.00  -0.04  -0.03
     3   6    -0.01  -0.00  -0.01    -0.01  -0.01  -0.02     0.01  -0.00   0.01
     4   1     0.02  -0.02   0.00    -0.38   0.17  -0.15     0.02  -0.01   0.02
     5   6     0.01   0.00   0.01    -0.04   0.00  -0.03    -0.03   0.00  -0.02
     6   1    -0.04   0.14   0.08     0.07  -0.28  -0.18     0.04  -0.16  -0.11
     7   6    -0.01   0.01  -0.00    -0.03   0.01  -0.02    -0.00   0.01   0.01
     8   1    -0.07  -0.04  -0.08    -0.20  -0.10  -0.24    -0.05  -0.02  -0.07
     9   6    -0.01  -0.03  -0.03     0.10   0.09   0.14     0.04   0.07   0.08
    10   6    -0.01   0.02   0.01     0.05  -0.06  -0.01    -0.00  -0.01  -0.01
    11   6     0.03  -0.04  -0.01     0.07   0.03   0.09    -0.02   0.05   0.03
    12   6     0.02  -0.05  -0.00    -0.05  -0.06  -0.07    -0.01  -0.01  -0.01
    13   6     0.05  -0.02   0.02    -0.12   0.04  -0.05     0.08  -0.03   0.03
    14   6    -0.01   0.02   0.00    -0.01  -0.04  -0.03     0.01  -0.00  -0.00
    15   6    -0.04   0.07  -0.01     0.01   0.03   0.01    -0.01   0.02   0.01
    16   6    -0.04   0.15   0.04    -0.02   0.08   0.02    -0.01   0.04   0.01
    17   6    -0.04  -0.02  -0.02     0.00  -0.00   0.01    -0.03  -0.01  -0.01
    18   6    -0.01  -0.04  -0.02     0.02   0.01   0.02    -0.01  -0.03  -0.02
    19   6     0.12  -0.05  -0.01    -0.02  -0.01  -0.00     0.01  -0.01  -0.00
    20   6     0.09   0.09   0.03    -0.02  -0.02  -0.00    -0.08  -0.07  -0.03
    21   6    -0.02  -0.01   0.00     0.02  -0.01  -0.00     0.03  -0.02  -0.01
    22   6     0.01  -0.01   0.01     0.03   0.00   0.01     0.03   0.00   0.01
    23   6    -0.10  -0.06  -0.01     0.01  -0.03  -0.02    -0.02   0.07   0.04
    24   6     0.05  -0.03  -0.01    -0.01   0.01   0.01     0.00  -0.01  -0.01
    25   6    -0.02  -0.05  -0.02    -0.00   0.03   0.01     0.01  -0.02  -0.01
    26   6    -0.14   0.02   0.03     0.07  -0.03  -0.02    -0.13   0.05   0.04
    27   6     0.04   0.04   0.01     0.00  -0.00  -0.00    -0.01   0.01   0.01
    28   6     0.03   0.03   0.01    -0.02  -0.01  -0.00     0.04   0.02   0.00
    29   6    -0.00  -0.04  -0.02     0.02   0.01   0.00    -0.01  -0.01  -0.00
    30   6    -0.00   0.02   0.01    -0.02   0.02   0.01     0.04  -0.04  -0.03
    31   1     0.04   0.07   0.07     0.03  -0.09  -0.05    -0.24  -0.21  -0.27
    32   1    -0.09   0.06  -0.02    -0.22   0.03  -0.07    -0.25   0.12  -0.08
    33   1    -0.02  -0.17  -0.05     0.08  -0.26  -0.09    -0.05   0.04   0.01
    34   1     0.16  -0.10   0.01     0.42  -0.14   0.11    -0.13   0.02  -0.05
    35   1    -0.41  -0.37  -0.20    -0.02  -0.06  -0.03     0.15   0.08   0.05
    36   1     0.12  -0.34  -0.09     0.07  -0.13  -0.02     0.02   0.05   0.03
    37   1     0.20   0.11   0.08    -0.05  -0.02  -0.02     0.23   0.23   0.09
    38   1    -0.22  -0.01  -0.00    -0.13   0.06   0.03     0.49  -0.12  -0.06
    39   1     0.37   0.00  -0.06    -0.02  -0.00   0.01     0.11   0.00  -0.02
    40   1     0.03   0.05   0.02    -0.06   0.10   0.05     0.12  -0.21  -0.11
    41  35    -0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    42   1     0.02   0.01   0.01    -0.09   0.03   0.02     0.19  -0.06  -0.07
                     79                     80                     81
                      A                      A                      A
 Frequencies --   1251.9930              1284.1098              1301.5206
 Red. masses --      1.8045                 1.6988                 1.5871
 Frc consts  --      1.6665                 1.6504                 1.5840
 IR Inten    --      1.2190                 6.4464                 1.2314
 RamAct Fr= 1--    133.0620                12.3307                 3.8315
  Dep-P Fr= 1--      0.1232                 0.6938                 0.2687
  Dep-U Fr= 1--      0.2193                 0.8192                 0.4236
 Alpha2 Fr= 1--      2.2003                 0.0121                 0.0431
 Beta2  Fr= 1--      4.8641                 1.6836                 0.2705
 AlphaG Fr= 1--      3.4651                -0.0506                 0.4551
 Gamma2 Fr= 1--    -47.2471               -24.5794                -0.3544
 Delta2 Fr= 1--    -21.9980               -14.6420                 1.8978
 Raman1 Fr= 1--     532.248                 49.323                 15.326
 ROA1   Fr= 1--   -5239.658              -2828.163                 26.706
 CID1   Fr= 1--      -9.844                -57.340                  1.743
 Raman2 Fr= 1--      58.369                 20.203                  3.246
 ROA2   Fr= 1--    -957.946               -472.769                -23.688
 CID2   Fr= 1--     -16.412                -23.401                 -7.298
 Raman3 Fr= 1--     116.738                 40.407                  6.492
 ROA3   Fr= 1--   -5239.658              -2828.163                 26.706
 CID3   Fr= 1--     -44.884                -69.993                  4.114
 RC180  Fr= 1--      -0.561                  0.638                 -0.153
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   1     0.13   0.14   0.27    -0.16  -0.15  -0.28     0.16   0.15   0.29
     2   6     0.01   0.05   0.05     0.00  -0.03  -0.02    -0.01   0.02   0.01
     3   6    -0.03  -0.00  -0.02     0.02  -0.01   0.01    -0.02   0.01  -0.00
     4   1    -0.15   0.06  -0.07     0.01  -0.00   0.00     0.07  -0.03   0.03
     5   6     0.02   0.00   0.02     0.01  -0.00   0.00    -0.01   0.01  -0.00
     6   1    -0.04   0.15   0.10     0.01   0.01   0.01     0.01  -0.05  -0.03
     7   6    -0.02   0.00  -0.01     0.02  -0.02  -0.00    -0.01   0.02   0.01
     8   1    -0.05  -0.03  -0.05     0.21   0.11   0.25    -0.21  -0.12  -0.25
     9   6    -0.02  -0.07  -0.06    -0.05   0.02  -0.03     0.06  -0.02   0.03
    10   6     0.01   0.01   0.01     0.00  -0.03  -0.01    -0.01   0.03   0.01
    11   6     0.07  -0.07  -0.00    -0.03   0.08   0.04     0.01  -0.08  -0.05
    12   6    -0.01  -0.03  -0.02     0.03   0.01   0.02    -0.02   0.03   0.00
    13   6    -0.10   0.04  -0.03    -0.03   0.02  -0.01     0.04   0.00   0.02
    14   6    -0.01   0.00  -0.00     0.01   0.00   0.01    -0.01  -0.02  -0.01
    15   6    -0.05  -0.01  -0.02     0.01  -0.07  -0.01    -0.01   0.02   0.00
    16   6    -0.02   0.01  -0.00    -0.03   0.11   0.03     0.01  -0.02  -0.00
    17   6     0.03   0.01   0.02    -0.01   0.01   0.01    -0.01  -0.01  -0.01
    18   6     0.01   0.02   0.02    -0.02  -0.03  -0.02     0.00  -0.00  -0.00
    19   6    -0.02   0.01   0.01    -0.03  -0.00  -0.01     0.05  -0.03  -0.01
    20   6    -0.04  -0.04  -0.02     0.02   0.03   0.01     0.03  -0.03  -0.01
    21   6     0.02  -0.01  -0.00     0.03  -0.02  -0.00    -0.02   0.01  -0.00
    22   6     0.03  -0.00   0.01    -0.00   0.02   0.01     0.00   0.01   0.00
    23   6     0.01   0.08   0.03    -0.03   0.09   0.04    -0.09   0.04   0.03
    24   6    -0.00  -0.01  -0.00    -0.02   0.00   0.00    -0.04   0.03   0.01
    25   6     0.01  -0.02  -0.01     0.02  -0.03  -0.01     0.02  -0.01  -0.00
    26   6    -0.08   0.05   0.03     0.06   0.04   0.01     0.07   0.03   0.00
    27   6    -0.02  -0.01   0.00    -0.01  -0.03  -0.01     0.02  -0.01  -0.01
    28   6     0.02   0.01  -0.00    -0.01  -0.01  -0.00    -0.01  -0.01  -0.00
    29   6    -0.02   0.00   0.00    -0.01  -0.02  -0.01    -0.02  -0.06  -0.02
    30   6     0.04  -0.04  -0.03     0.02  -0.03  -0.02    -0.00   0.00   0.00
    31   1     0.29   0.25   0.33    -0.00  -0.03  -0.02    -0.03   0.01  -0.01
    32   1     0.17  -0.09   0.05     0.18  -0.08   0.06    -0.11   0.03  -0.05
    33   1     0.04  -0.03   0.00     0.07  -0.30  -0.10    -0.03   0.09   0.03
    34   1     0.32  -0.09   0.09     0.15  -0.10   0.02    -0.15   0.05  -0.04
    35   1     0.17   0.12   0.07    -0.10  -0.15  -0.07    -0.06  -0.03  -0.02
    36   1     0.05  -0.07  -0.01     0.10  -0.29  -0.08    -0.01   0.06   0.02
    37   1     0.10   0.10   0.03    -0.15  -0.14  -0.05    -0.02   0.05   0.02
    38   1     0.41  -0.10  -0.05     0.03  -0.03  -0.01    -0.08   0.02   0.01
    39   1    -0.02  -0.00  -0.00    -0.38   0.02   0.06    -0.43   0.05   0.08
    40   1     0.10  -0.20  -0.10    -0.02   0.02   0.01    -0.08   0.20   0.10
    41  35    -0.00  -0.00   0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    42   1     0.14  -0.05  -0.06     0.39  -0.07  -0.13     0.58  -0.05  -0.17
                     82                     83                     84
                      A                      A                      A
 Frequencies --   1321.7910              1362.5774              1364.5080
 Red. masses --      2.4493                 5.3989                 5.0455
 Frc consts  --      2.5213                 5.9058                 5.5349
 IR Inten    --      8.0259                 1.6483                 2.8912
 RamAct Fr= 1--      7.2804               206.5250               134.9746
  Dep-P Fr= 1--      0.2382                 0.6301                 0.6332
  Dep-U Fr= 1--      0.3847                 0.7731                 0.7754
 Alpha2 Fr= 1--      0.0892                 0.4500                 0.2859
 Beta2  Fr= 1--      0.4668                26.6105                17.4440
 AlphaG Fr= 1--     -0.1239                -8.2378                -6.1736
 Gamma2 Fr= 1--      8.5813              -545.1729              -320.9047
 Delta2 Fr= 1--     -2.2376               -67.7002               -32.1794
 Raman1 Fr= 1--      29.122                826.100                539.898
 ROA1   Fr= 1--     752.198             -54503.006             -31836.588
 CID1   Fr= 1--      25.830                -65.976                -58.968
 Raman2 Fr= 1--       5.602                319.326                209.328
 ROA2   Fr= 1--     223.851             -12542.548              -7444.276
 CID2   Fr= 1--      39.962                -39.278                -35.563
 Raman3 Fr= 1--      11.203                638.651                418.655
 ROA3   Fr= 1--     752.198             -54503.006             -31836.588
 CID3   Fr= 1--      67.142                -85.341                -76.045
 RC180  Fr= 1--      -0.231                  0.546                  0.551
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   1    -0.21  -0.16  -0.35    -0.12  -0.08  -0.20    -0.03  -0.09  -0.18
     2   6     0.02   0.01   0.02     0.03   0.03   0.05     0.11   0.01   0.11
     3   6     0.02  -0.04  -0.02    -0.02  -0.01  -0.03    -0.13   0.07  -0.05
     4   1    -0.26   0.09  -0.12    -0.15   0.05  -0.08     0.19  -0.08   0.05
     5   6     0.03  -0.00   0.02     0.02  -0.04  -0.02     0.01  -0.14  -0.11
     6   1    -0.03   0.15   0.10    -0.04   0.12   0.06    -0.07   0.05  -0.01
     7   6    -0.03  -0.02  -0.04    -0.00   0.01   0.01     0.12   0.07   0.15
     8   1     0.21   0.15   0.28     0.07   0.07   0.11    -0.00  -0.02   0.05
     9   6    -0.05  -0.03  -0.06    -0.05   0.03  -0.01    -0.20   0.25   0.01
    10   6    -0.03  -0.00  -0.01    -0.01  -0.01  -0.01     0.08  -0.10  -0.01
    11   6     0.09   0.06   0.13     0.08  -0.02   0.05     0.00  -0.12  -0.09
    12   6    -0.07  -0.04  -0.07    -0.06  -0.04  -0.05     0.14  -0.07   0.07
    13   6     0.01  -0.08  -0.03     0.00  -0.04  -0.02    -0.10   0.04  -0.03
    14   6     0.02   0.06   0.04     0.02   0.01   0.02    -0.02  -0.00  -0.01
    15   6    -0.03   0.04   0.01     0.01   0.13   0.02    -0.07   0.08  -0.02
    16   6    -0.01  -0.04  -0.01     0.10  -0.05   0.01    -0.10  -0.06  -0.05
    17   6    -0.02   0.01  -0.00    -0.02  -0.04  -0.02     0.08   0.00   0.03
    18   6     0.04   0.02   0.02     0.01   0.05   0.03    -0.03   0.04   0.01
    19   6     0.11   0.05   0.01    -0.06  -0.08  -0.01     0.09  -0.00   0.01
    20   6    -0.03  -0.08  -0.03     0.12   0.00   0.01    -0.04   0.00  -0.00
    21   6    -0.04  -0.01  -0.01    -0.03   0.04   0.01    -0.01   0.04   0.01
    22   6     0.05   0.00   0.01    -0.05  -0.01  -0.02     0.05  -0.05  -0.01
    23   6    -0.07  -0.05  -0.00    -0.00  -0.13  -0.05    -0.01  -0.03  -0.02
    24   6    -0.03   0.01   0.00    -0.00   0.02   0.01    -0.01  -0.02  -0.01
    25   6     0.01   0.05   0.02    -0.02  -0.11  -0.04    -0.00   0.03   0.01
    26   6     0.02  -0.06  -0.02     0.08   0.30   0.09    -0.02  -0.02  -0.01
    27   6     0.05   0.03   0.00    -0.19   0.02   0.03     0.03   0.02   0.01
    28   6    -0.01   0.00   0.00     0.10  -0.16  -0.09     0.01  -0.01  -0.00
    29   6    -0.02  -0.06  -0.02     0.17   0.12   0.03    -0.04  -0.05  -0.02
    30   6    -0.01   0.05   0.02    -0.19  -0.05   0.02    -0.02   0.04   0.02
    31   1     0.09   0.11   0.11    -0.05  -0.03  -0.06    -0.18  -0.33  -0.32
    32   1    -0.13   0.13  -0.00    -0.10   0.07  -0.02     0.22  -0.12   0.05
    33   1    -0.05   0.15   0.04    -0.04   0.03   0.01     0.05   0.17   0.08
    34   1     0.03   0.02   0.03    -0.04   0.07   0.02     0.22  -0.04   0.06
    35   1     0.14   0.15   0.08    -0.21  -0.11  -0.07     0.07   0.11   0.05
    36   1    -0.00   0.16   0.06    -0.11   0.15   0.02     0.02   0.01   0.02
    37   1     0.15   0.22   0.08    -0.05  -0.04  -0.03     0.06   0.05   0.03
    38   1    -0.12   0.09   0.03     0.45  -0.21  -0.10     0.04   0.02   0.01
    39   1    -0.09   0.05   0.03    -0.10  -0.00   0.06    -0.05   0.04   0.02
    40   1    -0.08   0.19   0.10     0.03   0.07   0.02    -0.05   0.18   0.09
    41  35     0.00   0.00   0.00    -0.00   0.00   0.00     0.00   0.00   0.00
    42   1     0.26   0.02  -0.06     0.20  -0.08  -0.13     0.24   0.02  -0.05
                     85                     86                     87
                      A                      A                      A
 Frequencies --   1378.2901              1387.3926              1392.4249
 Red. masses --      5.2884                 4.6071                 4.5560
 Frc consts  --      5.9192                 5.2249                 5.2045
 IR Inten    --      1.2306                 6.5312                 5.7124
 RamAct Fr= 1--   3760.0627               649.3740               370.9566
  Dep-P Fr= 1--      0.1452                 0.1003                 0.4168
  Dep-U Fr= 1--      0.2536                 0.1822                 0.5884
 Alpha2 Fr= 1--     58.8365                11.3623                 2.5850
 Beta2  Fr= 1--    158.9175                19.7244                36.3758
 AlphaG Fr= 1--   -341.8664              -104.7796               -27.6150
 Gamma2 Fr= 1--  -1613.3727                34.1731              -585.4376
 Delta2 Fr= 1--   -885.8277                82.8323                23.8988
 Raman1 Fr= 1--   15040.251               2597.496               1483.826
 ROA1   Fr= 1-- -183230.268               5931.247             -55437.251
 CID1   Fr= 1--     -12.183                  2.283                -37.361
 Raman2 Fr= 1--    1907.010                236.692                436.510
 ROA2   Fr= 1--  -31634.324                157.495             -14241.693
 CID2   Fr= 1--     -16.588                  0.665                -32.626
 Raman3 Fr= 1--    3814.019                473.385                873.020
 ROA3   Fr= 1-- -183230.268               5931.247             -55437.251
 CID3   Fr= 1--     -48.041                 12.529                -63.501
 RC180  Fr= 1--      -0.493                 -0.636                  0.177
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   1     0.02   0.00   0.02     0.07   0.04   0.12     0.09   0.04   0.11
     2   6    -0.00  -0.01  -0.01    -0.08  -0.06  -0.12    -0.00  -0.02  -0.02
     3   6     0.01   0.00   0.01     0.10  -0.02   0.07    -0.03   0.03  -0.00
     4   1     0.01  -0.00   0.01     0.07  -0.01   0.07     0.20  -0.09   0.08
     5   6    -0.01   0.00  -0.00    -0.03   0.10   0.06    -0.01   0.01   0.00
     6   1     0.00  -0.02  -0.02     0.06  -0.12  -0.06     0.04  -0.11  -0.06
     7   6     0.01  -0.01   0.00    -0.03  -0.07  -0.07     0.02   0.01   0.03
     8   1     0.03   0.00   0.03     0.05  -0.01  -0.01    -0.11  -0.09  -0.15
     9   6    -0.01   0.04   0.02     0.09  -0.07   0.03     0.02  -0.04  -0.01
    10   6    -0.01  -0.03  -0.02     0.02  -0.02  -0.01     0.04   0.02   0.04
    11   6    -0.02   0.01  -0.01    -0.13   0.15  -0.01    -0.07   0.01  -0.05
    12   6     0.05  -0.14  -0.02     0.15  -0.15   0.05     0.09   0.15   0.11
    13   6     0.04   0.18   0.10    -0.03   0.08   0.03    -0.04  -0.15  -0.09
    14   6     0.01  -0.04  -0.02    -0.06   0.01  -0.03    -0.05   0.03  -0.00
    15   6    -0.25  -0.05  -0.09    -0.06   0.05  -0.01    -0.01  -0.15  -0.03
    16   6     0.30   0.06   0.11    -0.09  -0.02  -0.04    -0.08  -0.00  -0.01
    17   6     0.03  -0.11  -0.04     0.09  -0.03   0.02    -0.04   0.12   0.04
    18   6    -0.14   0.05  -0.03    -0.07   0.03  -0.01     0.06  -0.06  -0.01
    19   6    -0.02   0.15   0.03     0.13   0.00   0.01     0.01   0.24   0.04
    20   6     0.14  -0.14  -0.03    -0.12   0.10   0.02     0.07  -0.14  -0.04
    21   6    -0.10  -0.09  -0.05     0.02   0.04   0.02    -0.04  -0.08  -0.04
    22   6    -0.04   0.10   0.03     0.04  -0.08  -0.02     0.05   0.12   0.05
    23   6    -0.00  -0.01  -0.00     0.03  -0.13  -0.06    -0.01  -0.12  -0.03
    24   6    -0.01   0.03   0.01    -0.01  -0.08  -0.03    -0.03  -0.01  -0.00
    25   6    -0.03   0.02   0.01     0.01   0.02   0.00    -0.04   0.04   0.02
    26   6     0.00  -0.05  -0.02    -0.02   0.07   0.03     0.04   0.01  -0.00
    27   6     0.01   0.01   0.00    -0.04   0.05   0.02    -0.06   0.05   0.03
    28   6    -0.01  -0.00   0.00     0.07  -0.07  -0.04     0.03  -0.07  -0.03
    29   6     0.00  -0.01  -0.00    -0.02  -0.04  -0.01     0.08   0.04   0.00
    30   6    -0.01   0.01   0.01    -0.10   0.06   0.05    -0.11   0.02   0.03
    31   1    -0.01  -0.03  -0.01     0.19   0.11   0.20     0.01  -0.01   0.00
    32   1     0.29  -0.19   0.09     0.28  -0.16   0.08    -0.15   0.10  -0.07
    33   1     0.09  -0.40  -0.06     0.03   0.19   0.10     0.05  -0.21  -0.09
    34   1    -0.05   0.03  -0.03     0.10  -0.01   0.01     0.21  -0.14   0.06
    35   1    -0.03  -0.04   0.00     0.16   0.17   0.07     0.00  -0.07   0.01
    36   1    -0.11   0.40   0.06    -0.02   0.07   0.04     0.19  -0.28  -0.08
    37   1     0.20   0.27   0.07     0.01  -0.07  -0.00     0.27   0.32   0.09
    38   1    -0.04   0.03   0.01     0.24  -0.03  -0.02     0.22  -0.00  -0.02
    39   1     0.05   0.01  -0.01    -0.08   0.06   0.05     0.13   0.02   0.01
    40   1    -0.01   0.02   0.01    -0.05   0.31   0.14    -0.01   0.08   0.03
    41  35     0.00   0.00   0.00     0.00   0.00   0.00    -0.00   0.00   0.00
    42   1     0.03   0.01  -0.00     0.31   0.03  -0.07     0.06   0.00  -0.01
                     88                     89                     90
                      A                      A                      A
 Frequencies --   1402.5530              1426.3335              1430.5811
 Red. masses --      5.7357                 3.0050                 3.1977
 Frc consts  --      6.6477                 3.6020                 3.8558
 IR Inten    --      2.8864                 2.5018                 2.3080
 RamAct Fr= 1--    541.2825               574.3611                32.1738
  Dep-P Fr= 1--      0.7079                 0.0620                 0.1613
  Dep-U Fr= 1--      0.8290                 0.1168                 0.2778
 Alpha2 Fr= 1--      0.3955                11.0237                 0.4833
 Beta2  Fr= 1--     74.7838                11.1852                 1.4895
 AlphaG Fr= 1--     -2.6775               -78.5588                -1.8807
 Gamma2 Fr= 1--  -1615.4982               211.6620                -3.2632
 Delta2 Fr= 1--   -224.6921                27.0610                -6.4951
 Raman1 Fr= 1--    2165.130               2297.445                128.695
 ROA1   Fr= 1-- -162277.973              21185.507               -521.111
 CID1   Fr= 1--     -74.951                  9.221                 -4.049
 Raman2 Fr= 1--     897.405                134.222                 17.874
 ROA2   Fr= 1--  -36974.420               4863.401                -26.355
 CID2   Fr= 1--     -41.201                 36.234                 -1.475
 Raman3 Fr= 1--    1794.810                268.445                 35.748
 ROA3   Fr= 1-- -162277.973              21185.507               -521.111
 CID3   Fr= 1--     -90.415                 78.919                -14.577
 RC180  Fr= 1--       0.658                 -0.766                 -0.444
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   1    -0.10  -0.11  -0.21     0.06   0.08   0.15    -0.10  -0.08  -0.16
     2   6     0.00  -0.03  -0.02    -0.03   0.01  -0.02     0.04   0.02   0.06
     3   6     0.04  -0.02   0.01     0.02  -0.00   0.01    -0.02  -0.01  -0.03
     4   1    -0.03   0.02  -0.01    -0.04   0.02   0.00    -0.07   0.02  -0.05
     5   6    -0.01   0.02   0.01     0.00   0.01   0.01     0.01  -0.04  -0.02
     6   1    -0.02   0.04   0.01     0.00   0.01   0.01    -0.04   0.07   0.03
     7   6    -0.03  -0.00  -0.02    -0.00  -0.03  -0.02    -0.01   0.04   0.03
     8   1    -0.06  -0.02  -0.08     0.11   0.06   0.13    -0.11  -0.03  -0.10
     9   6     0.07  -0.07   0.00    -0.03   0.06   0.02     0.03  -0.06  -0.02
    10   6     0.09   0.01   0.06    -0.05  -0.02  -0.05     0.03   0.06   0.05
    11   6    -0.10   0.13  -0.00     0.05  -0.05   0.00     0.00  -0.01   0.00
    12   6     0.14  -0.03   0.10    -0.06  -0.04  -0.05    -0.05   0.11   0.00
    13   6    -0.09  -0.18  -0.12     0.01   0.10   0.04     0.02  -0.07  -0.02
    14   6    -0.10   0.06  -0.03     0.06  -0.02   0.02    -0.01  -0.02  -0.01
    15   6    -0.04   0.22   0.01     0.10  -0.03   0.03    -0.03  -0.07  -0.02
    16   6     0.03  -0.09  -0.03    -0.07  -0.00  -0.02     0.13   0.03   0.05
    17   6     0.04  -0.03   0.00    -0.01  -0.01  -0.00    -0.03   0.04   0.01
    18   6    -0.01   0.09   0.04     0.05  -0.04   0.00    -0.04   0.01  -0.02
    19   6    -0.18  -0.10  -0.01    -0.12   0.06   0.01    -0.05  -0.06  -0.00
    20   6     0.20  -0.13  -0.02     0.03  -0.05  -0.01    -0.05   0.12   0.03
    21   6    -0.04   0.09   0.03     0.05   0.03   0.02    -0.00  -0.04  -0.01
    22   6    -0.03  -0.04  -0.02    -0.03   0.03   0.00    -0.03  -0.02  -0.01
    23   6     0.06   0.17   0.04     0.14   0.03  -0.02     0.17  -0.05  -0.06
    24   6     0.09   0.10   0.03     0.09  -0.00   0.00     0.03  -0.06  -0.02
    25   6    -0.12  -0.03  -0.01    -0.13   0.03   0.01    -0.02   0.01   0.00
    26   6    -0.04  -0.11  -0.04    -0.05  -0.10  -0.03    -0.08   0.02   0.02
    27   6     0.04   0.01   0.00    -0.01   0.07   0.03     0.04   0.03   0.01
    28   6     0.00   0.02   0.01     0.07  -0.05  -0.03     0.06  -0.04  -0.03
    29   6    -0.04  -0.04  -0.01    -0.06  -0.05  -0.01    -0.16  -0.08  -0.01
    30   6     0.03  -0.03  -0.01    -0.06   0.05   0.04     0.03   0.09   0.04
    31   1     0.06  -0.03   0.03     0.01   0.04   0.02    -0.11  -0.06  -0.10
    32   1    -0.08   0.06  -0.05     0.03  -0.02   0.04    -0.18   0.07  -0.08
    33   1     0.01   0.11   0.06    -0.06   0.19   0.04     0.07  -0.35  -0.11
    34   1     0.37  -0.04   0.14    -0.30   0.10  -0.09     0.26  -0.11   0.06
    35   1    -0.36  -0.19  -0.11    -0.22  -0.23  -0.11     0.19   0.14   0.07
    36   1    -0.08   0.09   0.02     0.06  -0.28  -0.07    -0.10   0.22   0.04
    37   1     0.07   0.07  -0.01     0.15   0.06   0.00     0.03  -0.06  -0.01
    38   1    -0.06  -0.05  -0.01     0.21  -0.05  -0.01     0.13  -0.03  -0.01
    39   1     0.11   0.01  -0.03     0.16   0.06  -0.00    -0.20   0.08   0.06
    40   1    -0.01   0.06   0.02    -0.05   0.32   0.14    -0.08   0.40   0.19
    41  35    -0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00  -0.00
    42   1     0.25  -0.04  -0.09     0.40   0.01  -0.11     0.15   0.10  -0.01
                     91                     92                     93
                      A                      A                      A
 Frequencies --   1457.3724              1463.3395              1476.4824
 Red. masses --      1.9830                 1.9286                 2.3270
 Frc consts  --      2.4814                 2.4332                 2.9888
 IR Inten    --      0.5247                 6.0050                 3.1106
 RamAct Fr= 1--     15.3223                45.1273                36.2544
  Dep-P Fr= 1--      0.7331                 0.3568                 0.3235
  Dep-U Fr= 1--      0.8460                 0.5259                 0.4889
 Alpha2 Fr= 1--      0.0044                 0.3875                 0.3461
 Beta2  Fr= 1--      2.1604                 3.9557                 2.9540
 AlphaG Fr= 1--     -0.1827                -2.5959                -4.5800
 Gamma2 Fr= 1--    -14.5486                16.1965               -13.7971
 Delta2 Fr= 1--     -1.5587                36.1173                29.9347
 Raman1 Fr= 1--      61.289                180.509                145.018
 ROA1   Fr= 1--   -1446.546               2710.621               -366.612
 CID1   Fr= 1--     -23.602                 15.017                 -2.528
 Raman2 Fr= 1--      25.924                 47.468                 35.448
 ROA2   Fr= 1--    -336.698                 99.779               -570.608
 CID2   Fr= 1--     -12.988                  2.102                -16.097
 Raman3 Fr= 1--      51.849                 94.936                 70.897
 ROA3   Fr= 1--   -1446.546               2710.621               -366.612
 CID3   Fr= 1--     -27.899                 28.552                 -5.171
 RC180  Fr= 1--       0.692                  0.052                 -0.022
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   1     0.01  -0.07  -0.05    -0.05  -0.00  -0.05     0.25   0.14   0.38
     2   6     0.05  -0.04   0.01    -0.01   0.02   0.01    -0.04  -0.06  -0.10
     3   6    -0.07   0.00  -0.05     0.04  -0.01   0.02    -0.05   0.04  -0.01
     4   1     0.20  -0.14   0.04    -0.14   0.09  -0.04     0.36  -0.17   0.15
     5   6    -0.04   0.05   0.01     0.01  -0.03  -0.02     0.01   0.08   0.08
     6   1     0.11  -0.35  -0.20    -0.07   0.18   0.09     0.14  -0.23  -0.08
     7   6     0.08   0.03   0.08    -0.04  -0.00  -0.03     0.03  -0.07  -0.04
     8   1    -0.20  -0.19  -0.30     0.06   0.08   0.10     0.14   0.00   0.11
     9   6    -0.02  -0.00  -0.02     0.02  -0.00   0.02    -0.10   0.05  -0.04
    10   6    -0.03  -0.08  -0.07     0.03   0.02   0.03    -0.05  -0.00  -0.03
    11   6     0.01   0.06   0.06    -0.02  -0.01  -0.03     0.07  -0.01   0.06
    12   6    -0.03   0.00  -0.03     0.02  -0.01   0.02     0.01  -0.02   0.00
    13   6     0.02  -0.06  -0.01    -0.04   0.01  -0.01    -0.00  -0.03  -0.02
    14   6    -0.07   0.09   0.01    -0.01  -0.02  -0.02     0.10  -0.01   0.05
    15   6     0.00   0.01   0.00    -0.00   0.02  -0.00    -0.01   0.07   0.00
    16   6     0.04   0.02   0.02     0.02  -0.03  -0.00     0.00  -0.05  -0.01
    17   6    -0.03  -0.05  -0.03     0.01  -0.04  -0.01    -0.01   0.08   0.03
    18   6     0.06   0.01   0.03     0.02   0.02   0.02    -0.04  -0.01  -0.02
    19   6    -0.02  -0.02  -0.00    -0.01  -0.00   0.00    -0.04  -0.03  -0.00
    20   6    -0.01   0.02   0.00     0.01   0.02   0.00     0.06   0.01   0.01
    21   6     0.03  -0.00   0.00     0.07   0.02   0.02    -0.04   0.01  -0.00
    22   6    -0.03   0.03   0.00    -0.06   0.06   0.01     0.01  -0.03  -0.01
    23   6     0.01  -0.01  -0.01    -0.03  -0.05  -0.01    -0.01  -0.01  -0.00
    24   6    -0.02  -0.03  -0.01    -0.07  -0.10  -0.04    -0.01  -0.02  -0.01
    25   6    -0.01   0.01   0.01    -0.04   0.06   0.02    -0.03   0.00   0.00
    26   6    -0.00   0.01   0.01     0.03   0.03   0.01    -0.01   0.03   0.01
    27   6     0.03  -0.01  -0.01     0.10  -0.03  -0.03     0.07  -0.01  -0.02
    28   6    -0.01  -0.01  -0.00    -0.06  -0.02   0.00    -0.02  -0.02  -0.00
    29   6    -0.02   0.00   0.00    -0.02   0.03   0.02    -0.03   0.02   0.01
    30   6     0.03   0.01  -0.00     0.07   0.00  -0.01     0.06   0.00  -0.01
    31   1     0.28   0.17   0.27    -0.06  -0.06  -0.07    -0.08  -0.01  -0.07
    32   1     0.37  -0.11   0.14    -0.07   0.00  -0.04    -0.21   0.14  -0.03
    33   1    -0.10   0.16   0.04    -0.03   0.13   0.04     0.09  -0.24  -0.08
    34   1    -0.19   0.10  -0.03    -0.09   0.06  -0.00     0.20  -0.10   0.04
    35   1    -0.05  -0.08  -0.04    -0.18  -0.21  -0.10     0.03   0.08   0.04
    36   1     0.01  -0.09  -0.04     0.05  -0.28  -0.10    -0.03   0.11   0.03
    37   1     0.08   0.07   0.03     0.31   0.30   0.12     0.10   0.09   0.04
    38   1     0.11  -0.01  -0.01     0.37  -0.02  -0.02     0.12  -0.03  -0.02
    39   1    -0.12   0.02   0.02    -0.36   0.03   0.06    -0.23   0.03   0.04
    40   1    -0.04   0.06   0.03    -0.10   0.08   0.05    -0.07   0.09   0.05
    41  35     0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    42   1    -0.08   0.02   0.03    -0.30   0.04   0.10    -0.16   0.02   0.05
                     94                     95                     96
                      A                      A                      A
 Frequencies --   1510.5942              1515.5424              1537.3284
 Red. masses --      3.5609                 3.1298                 3.4101
 Frc consts  --      4.7874                 4.2355                 4.7485
 IR Inten    --     10.3182                 5.2962                17.7397
 RamAct Fr= 1--     42.2396               112.2598               219.0401
  Dep-P Fr= 1--      0.7059                 0.6951                 0.1807
  Dep-U Fr= 1--      0.8276                 0.8201                 0.3060
 Alpha2 Fr= 1--      0.0323                 0.1078                 3.1296
 Beta2  Fr= 1--      5.8265                15.3440                11.1723
 AlphaG Fr= 1--     -0.4168                -2.1875               -10.8936
 Gamma2 Fr= 1--    -64.3826              -162.9392              -226.5198
 Delta2 Fr= 1--     23.3989                50.2519               -45.6416
 Raman1 Fr= 1--     168.958                449.039                876.160
 ROA1   Fr= 1--   -5431.963             -14034.100             -23206.429
 CID1   Fr= 1--     -32.150                -31.254                -26.487
 Raman2 Fr= 1--      69.917                184.128                134.068
 ROA2   Fr= 1--   -1732.373              -4312.556              -5071.342
 CID2   Fr= 1--     -24.777                -23.421                -37.827
 Raman3 Fr= 1--     139.835                368.256                268.136
 ROA3   Fr= 1--   -5431.963             -14034.100             -23206.429
 CID3   Fr= 1--     -38.846                -38.110                -86.547
 RC180  Fr= 1--       0.655                  0.640                 -0.388
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   1     0.10   0.10   0.18     0.13   0.04   0.17     0.05   0.07   0.11
     2   6    -0.06  -0.01  -0.06     0.00  -0.04  -0.04    -0.04  -0.00  -0.04
     3   6     0.04   0.03   0.05    -0.07   0.04  -0.02     0.03   0.02   0.04
     4   1    -0.03   0.07   0.04     0.25  -0.13   0.09    -0.07   0.07   0.01
     5   6     0.03  -0.05  -0.02     0.03   0.03   0.05     0.02  -0.06  -0.04
     6   1    -0.07   0.22   0.13     0.08  -0.09  -0.01    -0.08   0.19   0.09
     7   6    -0.06  -0.02  -0.06    -0.00  -0.04  -0.03    -0.04   0.01  -0.03
     8   1     0.16   0.15   0.24     0.08   0.02   0.07     0.07   0.09   0.12
     9   6     0.02   0.10   0.08    -0.05  -0.02  -0.05     0.04   0.09   0.09
    10   6     0.01  -0.07  -0.04     0.04   0.05   0.06    -0.04  -0.08  -0.08
    11   6     0.01  -0.05  -0.03     0.04   0.03   0.06     0.01  -0.05  -0.02
    12   6     0.06   0.01   0.05     0.01   0.02   0.01     0.00   0.03   0.02
    13   6    -0.07  -0.04  -0.06    -0.09  -0.02  -0.06     0.07  -0.07   0.01
    14   6    -0.05   0.04  -0.01     0.04  -0.04   0.00    -0.05   0.07   0.01
    15   6    -0.02   0.05  -0.01    -0.06   0.01  -0.02    -0.02   0.04  -0.00
    16   6     0.01   0.06   0.03     0.10  -0.03   0.02     0.04  -0.03   0.00
    17   6    -0.07  -0.03  -0.03     0.03  -0.10  -0.03    -0.05   0.09   0.02
    18   6     0.16  -0.05   0.04     0.01   0.07   0.04     0.01  -0.04  -0.02
    19   6    -0.07  -0.02   0.00     0.02  -0.03  -0.00    -0.03  -0.06  -0.01
    20   6     0.03  -0.04  -0.01    -0.12  -0.02  -0.02     0.05   0.08   0.03
    21   6    -0.07  -0.12  -0.05     0.11  -0.00   0.02    -0.02   0.01   0.00
    22   6     0.05   0.08   0.04    -0.08   0.12   0.03    -0.01  -0.03  -0.01
    23   6     0.04  -0.06  -0.03     0.06  -0.02  -0.02     0.05  -0.01  -0.02
    24   6     0.01   0.08   0.03    -0.05   0.00   0.00    -0.08  -0.10  -0.03
    25   6     0.11  -0.07  -0.03     0.11   0.01   0.00    -0.03   0.06   0.02
    26   6    -0.10   0.10   0.05     0.03   0.02   0.00     0.13   0.00  -0.02
    27   6     0.02   0.00  -0.00    -0.10  -0.02   0.01    -0.08  -0.07  -0.02
    28   6     0.03  -0.03  -0.02     0.03   0.10   0.04    -0.02   0.18   0.08
    29   6    -0.10  -0.02   0.01    -0.03  -0.10  -0.04     0.00  -0.12  -0.05
    30   6     0.09   0.03  -0.00    -0.04   0.04   0.03    -0.07   0.04   0.03
    31   1     0.12   0.02   0.08    -0.16  -0.12  -0.17     0.19   0.10   0.17
    32   1     0.12  -0.04   0.05    -0.24   0.09  -0.09     0.20  -0.05   0.09
    33   1    -0.13   0.16   0.02    -0.04   0.17   0.06     0.03  -0.21  -0.08
    34   1    -0.34   0.13  -0.06    -0.03   0.09   0.03     0.05  -0.07  -0.01
    35   1     0.20   0.12   0.08    -0.13  -0.23  -0.11     0.02   0.05   0.02
    36   1     0.08   0.00   0.01     0.06  -0.32  -0.12    -0.04   0.07   0.01
    37   1    -0.21  -0.14  -0.05    -0.09  -0.02  -0.00     0.20   0.20   0.08
    38   1    -0.31   0.01   0.01    -0.17   0.07   0.03     0.21   0.01  -0.00
    39   1    -0.16   0.04   0.04     0.28  -0.08  -0.07     0.25  -0.13  -0.09
    40   1    -0.03   0.16   0.08     0.14  -0.19  -0.10     0.16  -0.35  -0.18
    41  35     0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00   0.00   0.00
    42   1    -0.14   0.06   0.06     0.23   0.02  -0.05     0.28   0.01  -0.07
                     97                     98                     99
                      A                      A                      A
 Frequencies --   1549.6887              1557.1988              1588.0023
 Red. masses --      3.9321                 3.7726                 7.8670
 Frc consts  --      5.5637                 5.3899                11.6886
 IR Inten    --      4.6831                 2.1793                 0.4062
 RamAct Fr= 1--    130.8548                21.2497                27.7313
  Dep-P Fr= 1--      0.6001                 0.2265                 0.6942
  Dep-U Fr= 1--      0.7501                 0.3693                 0.8195
 Alpha2 Fr= 1--      0.3631                 0.2687                 0.0270
 Beta2  Fr= 1--     16.3591                 1.3081                 3.7878
 AlphaG Fr= 1--     -1.7297                -1.5099                 0.3555
 Gamma2 Fr= 1--   -539.4211               -63.3989               -31.7371
 Delta2 Fr= 1--    -72.3617                -8.9847                 2.1856
 Raman1 Fr= 1--     523.419                 84.999                110.925
 ROA1   Fr= 1--  -54100.004              -6373.806              -2976.822
 CID1   Fr= 1--    -103.359                -74.987                -26.836
 Raman2 Fr= 1--     196.309                 15.697                 45.454
 ROA2   Fr= 1--  -12367.213              -1449.696               -779.175
 CID2   Fr= 1--     -62.999                -92.354                -17.142
 Raman3 Fr= 1--     392.619                 31.394                 90.907
 ROA3   Fr= 1--  -54100.004              -6373.806              -2976.822
 CID3   Fr= 1--    -137.793               -203.025                -32.746
 RC180  Fr= 1--       0.500                 -0.261                  0.639
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   1     0.21   0.06   0.27     0.14   0.07   0.20    -0.12   0.08  -0.04
     2   6     0.00  -0.08  -0.07    -0.02  -0.05  -0.06    -0.09   0.08  -0.00
     3   6    -0.13   0.11  -0.01    -0.06   0.08   0.02     0.21  -0.13   0.05
     4   1     0.31  -0.11   0.15     0.11  -0.00   0.09    -0.33   0.13  -0.14
     5   6     0.09  -0.09  -0.00     0.07  -0.12  -0.04    -0.11   0.17   0.05
     6   1    -0.00   0.18   0.15    -0.07   0.25   0.15     0.02  -0.21  -0.15
     7   6    -0.07  -0.00  -0.06    -0.06   0.03  -0.03     0.06  -0.07  -0.01
     8   1     0.12   0.14   0.20     0.07   0.13   0.15     0.05  -0.09  -0.03
     9   6     0.02  -0.00   0.01     0.06   0.05   0.08    -0.10   0.14   0.02
    10   6     0.09   0.02   0.06    -0.02  -0.06  -0.05    -0.05  -0.05  -0.06
    11   6     0.04   0.05   0.08     0.03   0.00   0.04     0.04  -0.17  -0.09
    12   6    -0.03   0.06  -0.01    -0.05   0.05  -0.02     0.10   0.12   0.11
    13   6    -0.06  -0.03  -0.04     0.13  -0.09   0.03    -0.09  -0.12  -0.10
    14   6    -0.07  -0.00  -0.04    -0.08   0.07  -0.01     0.06   0.03   0.05
    15   6    -0.02  -0.09  -0.02    -0.03  -0.01  -0.00    -0.17   0.01  -0.06
    16   6     0.02   0.17   0.06     0.07  -0.12  -0.02     0.18   0.00   0.05
    17   6    -0.01  -0.13  -0.05     0.03   0.06   0.03    -0.07   0.01  -0.02
    18   6     0.07   0.02   0.04    -0.13   0.04  -0.04     0.10  -0.01   0.03
    19   6     0.05  -0.02  -0.01     0.07   0.02   0.00     0.15  -0.13  -0.02
    20   6     0.01   0.10   0.03    -0.13  -0.07  -0.03    -0.15   0.13   0.03
    21   6    -0.04  -0.00  -0.01     0.13   0.08   0.05     0.06  -0.02   0.00
    22   6     0.04  -0.11  -0.03    -0.08   0.04  -0.01    -0.06   0.04   0.00
    23   6    -0.03   0.08   0.03    -0.03   0.03   0.02    -0.01   0.18   0.07
    24   6     0.06  -0.05  -0.01     0.03   0.05   0.02     0.03  -0.05  -0.02
    25   6    -0.13   0.04   0.02     0.05  -0.02  -0.01    -0.03   0.05   0.02
    26   6     0.04  -0.09  -0.04    -0.07  -0.04  -0.00    -0.03  -0.18  -0.06
    27   6     0.02   0.02   0.01     0.01   0.05   0.02     0.00   0.08   0.03
    28   6    -0.02  -0.04  -0.01     0.03  -0.11  -0.05     0.01  -0.13  -0.06
    29   6     0.08   0.06   0.01     0.02   0.07   0.03     0.13   0.13   0.04
    30   6    -0.06  -0.04  -0.01     0.01  -0.03  -0.02    -0.11  -0.08  -0.01
    31   1    -0.05  -0.11  -0.10     0.15   0.07   0.13     0.03   0.03   0.03
    32   1     0.02  -0.06  -0.02     0.21  -0.06   0.08    -0.11   0.12  -0.00
    33   1    -0.12   0.24   0.07     0.10  -0.20  -0.04    -0.04  -0.10  -0.04
    34   1    -0.16   0.11  -0.01     0.30  -0.12   0.06    -0.07   0.04   0.01
    35   1     0.11   0.15   0.06    -0.21  -0.22  -0.12     0.06  -0.02  -0.01
    36   1    -0.08   0.28   0.09    -0.02  -0.19  -0.07    -0.03  -0.02  -0.03
    37   1     0.10  -0.01  -0.00    -0.13  -0.11  -0.04     0.00  -0.07  -0.01
    38   1     0.22  -0.04  -0.02    -0.16   0.02   0.02    -0.00   0.04   0.02
    39   1     0.01   0.02   0.00    -0.03   0.07   0.03     0.07   0.07   0.02
    40   1    -0.04   0.00   0.01    -0.07   0.18   0.09    -0.08   0.11   0.06
    41  35    -0.00  -0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00   0.00
    42   1     0.05  -0.06  -0.03    -0.09  -0.02   0.01     0.12  -0.12  -0.08
                    100                    101                    102
                      A                      A                      A
 Frequencies --   1615.0800              1636.6685              1643.3537
 Red. masses --      6.8499                 6.0285                 6.5238
 Frc consts  --     10.5274                 9.5143                10.3803
 IR Inten    --      2.4007                31.0050                 3.1039
 RamAct Fr= 1--    228.1728               155.3807               303.3083
  Dep-P Fr= 1--      0.7476                 0.4750                 0.4869
  Dep-U Fr= 1--      0.8556                 0.6440                 0.6549
 Alpha2 Fr= 1--      0.0094                 0.8585                 1.5903
 Beta2  Fr= 1--     32.5356                16.6785                33.1066
 AlphaG Fr= 1--      0.0017                -0.4399                -7.2570
 Gamma2 Fr= 1--     11.8042              -135.6685              -129.9490
 Delta2 Fr= 1--    170.9328                46.3573                52.7105
 Raman1 Fr= 1--     912.691                621.523               1213.233
 ROA1   Fr= 1--    6603.048             -11540.741             -10788.368
 CID1   Fr= 1--       7.235                -18.568                 -8.892
 Raman2 Fr= 1--     390.427                200.142                397.280
 ROA2   Fr= 1--   -1084.162              -3626.901              -3540.460
 CID2   Fr= 1--      -2.777                -18.122                 -8.912
 Raman3 Fr= 1--     780.853                400.284                794.559
 ROA3   Fr= 1--    6603.048             -11540.741             -10788.368
 CID3   Fr= 1--       8.456                -28.831                -13.578
 RC180  Fr= 1--       0.711                  0.288                  0.310
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   1     0.01  -0.11  -0.10     0.00   0.02   0.03    -0.02  -0.07  -0.09
     2   6     0.10  -0.04   0.05    -0.02   0.01  -0.01     0.06  -0.01   0.04
     3   6    -0.16   0.08  -0.05     0.02  -0.01   0.01    -0.07   0.04  -0.03
     4   1     0.20  -0.10   0.07    -0.02   0.01  -0.01     0.07  -0.03   0.02
     5   6     0.07  -0.11  -0.03    -0.01   0.02   0.01     0.03  -0.06  -0.02
     6   1    -0.01   0.10   0.08     0.01  -0.02  -0.01    -0.01   0.06   0.04
     7   6    -0.04   0.06   0.01     0.00  -0.01  -0.01    -0.02   0.04   0.01
     8   1    -0.06   0.05  -0.01     0.02  -0.00   0.01    -0.04   0.03  -0.01
     9   6     0.11  -0.11   0.01    -0.02   0.02  -0.00     0.09  -0.05   0.03
    10   6    -0.07   0.02  -0.03     0.03  -0.00   0.01    -0.13  -0.01  -0.09
    11   6    -0.10   0.13   0.01     0.03  -0.02   0.01    -0.09   0.06  -0.04
    12   6     0.04  -0.15  -0.03    -0.02   0.03  -0.01     0.10  -0.04   0.05
    13   6    -0.05   0.13   0.03     0.04  -0.03   0.01    -0.14   0.06  -0.05
    14   6     0.08  -0.05   0.02    -0.04   0.01  -0.01     0.17  -0.04   0.08
    15   6    -0.01   0.15   0.02     0.03  -0.01   0.01    -0.13  -0.02  -0.04
    16   6     0.02  -0.15  -0.04    -0.02  -0.01  -0.01     0.11   0.01   0.04
    17   6    -0.08   0.17   0.04     0.04  -0.04  -0.00    -0.12   0.14   0.01
    18   6     0.11  -0.12  -0.00    -0.06   0.04  -0.01     0.19  -0.11   0.03
    19   6    -0.00  -0.14  -0.02    -0.01   0.01   0.00     0.10   0.06   0.01
    20   6     0.01   0.13   0.04    -0.05  -0.02  -0.01    -0.14  -0.10  -0.04
    21   6    -0.06  -0.16  -0.07    -0.00  -0.05  -0.02     0.11   0.15   0.07
    22   6    -0.01   0.20   0.07     0.00   0.07   0.02    -0.05  -0.13  -0.06
    23   6     0.07   0.13   0.03     0.15  -0.08  -0.06    -0.06  -0.09  -0.02
    24   6    -0.09  -0.08  -0.03     0.11   0.07   0.02     0.20   0.12   0.04
    25   6     0.09   0.04   0.01    -0.05  -0.05  -0.02    -0.19  -0.05  -0.01
    26   6    -0.08  -0.12  -0.03    -0.19   0.06   0.05     0.05   0.08   0.02
    27   6     0.04   0.04   0.01     0.33  -0.11  -0.10     0.05  -0.05  -0.03
    28   6    -0.01  -0.07  -0.03    -0.20   0.14   0.09    -0.04   0.08   0.04
    29   6     0.11   0.09   0.02     0.19   0.04  -0.02    -0.02  -0.04  -0.02
    30   6    -0.13  -0.05   0.01    -0.28   0.01   0.06     0.03   0.03   0.00
    31   1     0.02   0.10   0.07    -0.00  -0.03  -0.02     0.05   0.15   0.12
    32   1    -0.08   0.03  -0.01     0.04  -0.02   0.01    -0.19   0.14  -0.02
    33   1     0.02  -0.23  -0.10     0.02   0.05   0.03    -0.05  -0.19  -0.10
    34   1    -0.21  -0.01  -0.09     0.09  -0.01   0.03    -0.25   0.03  -0.08
    35   1     0.22   0.08   0.07     0.05  -0.01   0.01    -0.20  -0.12  -0.08
    36   1     0.14  -0.23  -0.07     0.05  -0.09  -0.02    -0.13   0.12   0.02
    37   1     0.07   0.09   0.05    -0.10  -0.16  -0.06    -0.13  -0.24  -0.10
    38   1    -0.13   0.09   0.04    -0.04  -0.07  -0.02     0.17  -0.14  -0.06
    39   1    -0.00   0.05   0.02    -0.47  -0.01   0.06    -0.09  -0.04  -0.00
    40   1    -0.05   0.03   0.02    -0.07  -0.29  -0.12     0.01  -0.09  -0.04
    41  35    -0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    42   1     0.17  -0.08  -0.08     0.34  -0.06  -0.12    -0.06   0.03   0.03
                    103                    104                    105
                      A                      A                      A
 Frequencies --   1652.4178              1660.7254              1663.4565
 Red. masses --      5.4728                 6.1962                 6.2504
 Frc consts  --      8.8043                10.0687                10.1902
 IR Inten    --      1.5860                 0.5516                 1.1964
 RamAct Fr= 1--    319.2418               518.7366               121.0133
  Dep-P Fr= 1--      0.1378                 0.0627                 0.1167
  Dep-U Fr= 1--      0.2422                 0.1180                 0.2090
 Alpha2 Fr= 1--      5.0898                 9.9411                 2.0335
 Beta2  Fr= 1--     12.8858                10.1981                 4.2153
 AlphaG Fr= 1--    -24.5238               -74.1040               -19.9845
 Gamma2 Fr= 1--    -94.0847               144.7622                17.1750
 Delta2 Fr= 1--    -37.9586               -74.7186                -8.4023
 Raman1 Fr= 1--    1276.967               2074.946                484.053
 ROA1   Fr= 1--  -10246.804              11506.178               1379.928
 CID1   Fr= 1--      -8.024                  5.545                  2.851
 Raman2 Fr= 1--     154.629                122.378                 50.584
 ROA2   Fr= 1--   -1954.363               4072.042                479.419
 CID2   Fr= 1--     -12.639                 33.274                  9.478
 Raman3 Fr= 1--     309.259                244.755                101.168
 ROA3   Fr= 1--  -10246.804              11506.178               1379.928
 CID3   Fr= 1--     -33.133                 47.011                 13.640
 RC180  Fr= 1--      -0.516                 -0.764                 -0.582
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   1     0.12   0.12   0.23     0.02   0.02   0.04     0.10   0.12   0.22
     2   6    -0.14  -0.07  -0.18    -0.02  -0.01  -0.03    -0.13  -0.04  -0.15
     3   6     0.12   0.03   0.13     0.02   0.00   0.02     0.13  -0.02   0.09
     4   1    -0.19   0.19   0.03    -0.02   0.02   0.00    -0.14   0.12   0.00
     5   6    -0.02  -0.19  -0.18    -0.00  -0.02  -0.02    -0.04  -0.04  -0.07
     6   1    -0.22   0.27   0.06    -0.03   0.03   0.00    -0.09   0.07  -0.02
     7   6     0.11   0.18   0.22     0.02   0.02   0.03     0.10   0.06   0.12
     8   1    -0.27  -0.08  -0.26    -0.04  -0.02  -0.04    -0.12  -0.10  -0.15
     9   6    -0.03  -0.08  -0.08    -0.01  -0.02  -0.02    -0.15  -0.04  -0.15
    10   6    -0.15  -0.01  -0.10     0.00   0.01   0.01     0.22   0.07   0.18
    11   6     0.01   0.09   0.08     0.00   0.01   0.01     0.10   0.04   0.12
    12   6     0.02   0.03   0.02     0.02  -0.01   0.01    -0.04  -0.10  -0.07
    13   6    -0.06  -0.03  -0.05    -0.05   0.03  -0.01     0.03   0.09   0.05
    14   6     0.19  -0.02   0.10     0.01  -0.01   0.00    -0.21   0.00  -0.12
    15   6     0.02  -0.01   0.00    -0.03  -0.06  -0.02    -0.04   0.06  -0.00
    16   6    -0.03   0.04   0.00     0.03   0.09   0.04     0.06  -0.09  -0.01
    17   6     0.07  -0.12  -0.02    -0.07   0.05  -0.00    -0.11   0.19   0.04
    18   6    -0.07   0.09   0.01     0.10  -0.06   0.01     0.15  -0.14  -0.00
    19   6    -0.00  -0.01  -0.00    -0.10   0.08   0.02     0.04  -0.02  -0.00
    20   6     0.01   0.02   0.01     0.09  -0.09  -0.02    -0.05  -0.01  -0.01
    21   6    -0.03  -0.04  -0.02     0.08   0.23   0.09     0.03   0.01   0.01
    22   6     0.02   0.03   0.01    -0.01  -0.27  -0.10    -0.03   0.02  -0.00
    23   6     0.00   0.01   0.00     0.11   0.02  -0.01    -0.03  -0.01   0.00
    24   6    -0.00  -0.01  -0.00    -0.26  -0.09  -0.03     0.07   0.03   0.01
    25   6    -0.00   0.00   0.00     0.31   0.03   0.00    -0.07  -0.01  -0.00
    26   6     0.00  -0.01  -0.00    -0.17  -0.03   0.01     0.03   0.01  -0.00
    27   6    -0.00   0.00   0.00     0.07   0.02  -0.00    -0.01  -0.01  -0.00
    28   6    -0.00  -0.00  -0.00    -0.02  -0.03  -0.01    -0.00   0.01   0.00
    29   6     0.00   0.00   0.00     0.06   0.04   0.01    -0.01  -0.01  -0.00
    30   6    -0.01  -0.00   0.00    -0.10  -0.01   0.02     0.02   0.00  -0.00
    31   1     0.01   0.15   0.09    -0.02  -0.01  -0.02    -0.14  -0.25  -0.24
    32   1    -0.21   0.18  -0.01    -0.03   0.00  -0.01     0.18  -0.20  -0.01
    33   1     0.00   0.16   0.07    -0.05  -0.06  -0.04    -0.01  -0.24  -0.11
    34   1     0.11   0.03   0.06    -0.14   0.02  -0.05    -0.22  -0.02  -0.10
    35   1     0.06   0.03   0.02    -0.29  -0.08  -0.07    -0.02  -0.03  -0.01
    36   1     0.04  -0.02   0.00    -0.20   0.26   0.06    -0.01  -0.04  -0.02
    37   1     0.01   0.00   0.00     0.07   0.29   0.11    -0.03  -0.08  -0.03
    38   1     0.01  -0.00   0.00    -0.33   0.18   0.08     0.06  -0.04  -0.02
    39   1     0.00   0.00  -0.00    -0.08   0.04   0.02     0.01  -0.01  -0.00
    40   1    -0.00  -0.00  -0.00    -0.03   0.01   0.01     0.01  -0.01  -0.01
    41  35    -0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    42   1     0.01  -0.00  -0.00     0.13  -0.03  -0.05    -0.02   0.01   0.00
                    106                    107                    108
                      A                      A                      A
 Frequencies --   3165.5592              3166.3014              3167.6821
 Red. masses --      1.0859                 1.0860                 1.0862
 Frc consts  --      6.4115                 6.4148                 6.4218
 IR Inten    --      0.9142                 1.1105                 3.7845
 RamAct Fr= 1--     16.8497                12.9393                43.8042
  Dep-P Fr= 1--      0.5784                 0.4132                 0.7296
  Dep-U Fr= 1--      0.7329                 0.5848                 0.8437
 Alpha2 Fr= 1--      0.0543                 0.0914                 0.0153
 Beta2  Fr= 1--      2.0581                 1.2611                 6.1594
 AlphaG Fr= 1--      0.2444                 0.4602                -0.0209
 Gamma2 Fr= 1--      4.8955               -19.4987                35.8374
 Delta2 Fr= 1--      5.5999                 0.8019                22.5099
 Raman1 Fr= 1--      67.399                 51.757                175.217
 ROA1   Fr= 1--     649.159              -1846.214               4160.705
 CID1   Fr= 1--       9.632                -35.671                 23.746
 Raman2 Fr= 1--      24.697                 15.134                 73.913
 ROA2   Fr= 1--      72.692               -474.385                680.017
 CID2   Fr= 1--       2.943                -31.346                  9.200
 Raman3 Fr= 1--      49.395                 30.267                147.825
 ROA3   Fr= 1--     649.159              -1846.214               4160.705
 CID3   Fr= 1--      13.142                -60.997                 28.146
 RC180  Fr= 1--       0.466                  0.170                  0.687
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   1    -0.01   0.01   0.00    -0.01   0.01   0.00     0.02  -0.03  -0.00
     2   6     0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
     3   6     0.00   0.00   0.00     0.00   0.00   0.00    -0.00  -0.01  -0.01
     4   1    -0.01  -0.05  -0.06    -0.00  -0.03  -0.03     0.02   0.12   0.13
     5   6    -0.01   0.00  -0.01    -0.01   0.00  -0.00     0.02  -0.00   0.02
     6   1     0.14  -0.00   0.11     0.07  -0.00   0.05    -0.26   0.01  -0.20
     7   6     0.02  -0.02  -0.00     0.01  -0.01  -0.00    -0.03   0.03   0.00
     8   1    -0.21   0.25   0.02    -0.10   0.11   0.01     0.34  -0.39  -0.03
     9   6    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    10   6    -0.03   0.03   0.00    -0.01   0.01   0.00     0.00  -0.00   0.00
    11   6     0.00  -0.00   0.00     0.00  -0.00   0.00     0.00  -0.00  -0.00
    12   6     0.00   0.00   0.00     0.00   0.00   0.00     0.00  -0.00  -0.00
    13   6    -0.00   0.00  -0.00    -0.00  -0.00  -0.00    -0.00   0.00  -0.00
    14   6    -0.01  -0.04  -0.03    -0.00  -0.01  -0.01    -0.00  -0.00  -0.00
    15   6     0.00  -0.00  -0.00     0.00   0.00   0.00     0.00  -0.00   0.00
    16   6    -0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    17   6    -0.02  -0.00  -0.01     0.01   0.00   0.00    -0.03  -0.01  -0.01
    18   6     0.01   0.02   0.01    -0.00  -0.00  -0.00     0.01   0.03   0.02
    19   6    -0.00  -0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00  -0.00
    20   6     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00   0.00   0.00
    21   6    -0.01   0.01   0.00     0.02  -0.02  -0.00    -0.01   0.01   0.00
    22   6     0.01   0.00   0.00    -0.02  -0.00  -0.01     0.02   0.00   0.01
    23   6    -0.00  -0.00  -0.00     0.00   0.00   0.00     0.00   0.00  -0.00
    24   6     0.01  -0.01  -0.00    -0.04   0.03   0.01    -0.02   0.01   0.00
    25   6     0.00   0.01   0.00    -0.01  -0.04  -0.01    -0.00  -0.02  -0.01
    26   6     0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00   0.00   0.00
    27   6    -0.00  -0.00  -0.00     0.00   0.01   0.00     0.00   0.01   0.00
    28   6     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    29   6     0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    30   6    -0.00   0.00  -0.00     0.00   0.00   0.00     0.00   0.00   0.00
    31   1     0.35  -0.39  -0.02     0.12  -0.13  -0.01    -0.03   0.03   0.00
    32   1     0.13   0.48   0.32     0.04   0.14   0.10     0.02   0.05   0.04
    33   1     0.24   0.03   0.09    -0.09  -0.01  -0.04     0.39   0.06   0.15
    34   1    -0.06  -0.26  -0.13     0.01   0.04   0.02    -0.08  -0.34  -0.18
    35   1     0.09  -0.09  -0.02    -0.24   0.24   0.05     0.12  -0.12  -0.02
    36   1    -0.14  -0.03  -0.04     0.29   0.07   0.09    -0.25  -0.06  -0.08
    37   1    -0.09   0.08   0.02     0.45  -0.39  -0.12     0.19  -0.17  -0.05
    38   1    -0.02  -0.09  -0.03     0.12   0.49   0.17     0.06   0.24   0.08
    39   1     0.01   0.03   0.01    -0.03  -0.14  -0.05    -0.02  -0.09  -0.03
    40   1    -0.01  -0.00   0.00     0.03   0.01  -0.00     0.02   0.01  -0.00
    41  35    -0.00   0.00   0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    42   1    -0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
                    109                    110                    111
                      A                      A                      A
 Frequencies --   3168.4523              3169.8262              3173.0178
 Red. masses --      1.0862                 1.0861                 1.0887
 Frc consts  --      6.4246                 6.4298                 6.4582
 IR Inten    --      0.7320                 0.2848                 6.9245
 RamAct Fr= 1--    145.6263                98.9701               131.4198
  Dep-P Fr= 1--      0.7238                 0.7498                 0.4842
  Dep-U Fr= 1--      0.8397                 0.8570                 0.6525
 Alpha2 Fr= 1--      0.0657                 0.0004                 0.6972
 Beta2  Fr= 1--     20.3814                14.1363                14.2922
 AlphaG Fr= 1--     -0.0039                -0.0002                 0.7934
 Gamma2 Fr= 1--     18.9508               -17.0969               -10.9322
 Delta2 Fr= 1--    -12.3691               -33.2703                -4.8567
 Raman1 Fr= 1--     582.505                395.880                525.679
 ROA1   Fr= 1--    1423.464              -2705.955              -1204.909
 CID1   Fr= 1--       2.444                 -6.835                 -2.292
 Raman2 Fr= 1--     244.577                169.635                171.507
 ROA2   Fr= 1--     553.771               -144.165               -223.520
 CID2   Fr= 1--       2.264                 -0.850                 -1.303
 Raman3 Fr= 1--     489.154                339.271                343.014
 ROA3   Fr= 1--    1423.464              -2705.955              -1204.909
 CID3   Fr= 1--       2.910                 -7.976                 -3.513
 RC180  Fr= 1--       0.679                  0.714                  0.305
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   1    -0.02   0.03   0.00    -0.01   0.01   0.00    -0.00   0.00   0.00
     2   6     0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
     3   6     0.00   0.01   0.01     0.00   0.00   0.00     0.00   0.00   0.00
     4   1    -0.02  -0.14  -0.14    -0.01  -0.04  -0.04    -0.00  -0.00  -0.00
     5   6    -0.02   0.00  -0.02    -0.01   0.00  -0.00     0.00  -0.00   0.00
     6   1     0.27  -0.01   0.21     0.07  -0.00   0.05    -0.00   0.00  -0.00
     7   6     0.03  -0.03  -0.00     0.01  -0.01  -0.00    -0.00   0.00   0.00
     8   1    -0.31   0.36   0.03    -0.06   0.07   0.01     0.00  -0.00  -0.00
     9   6    -0.00  -0.00  -0.00     0.00  -0.00   0.00     0.00   0.00   0.00
    10   6     0.02  -0.02  -0.00     0.01  -0.01  -0.00    -0.00   0.00   0.00
    11   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    12   6    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    13   6     0.00   0.00   0.00    -0.00   0.00   0.00     0.00  -0.00   0.00
    14   6     0.01   0.03   0.02     0.00   0.01   0.01    -0.00  -0.00  -0.00
    15   6    -0.00  -0.00   0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    16   6    -0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    17   6    -0.02  -0.00  -0.01    -0.04  -0.01  -0.01     0.00   0.00   0.00
    18   6     0.00   0.01   0.00     0.01   0.03   0.02    -0.00  -0.00  -0.00
    19   6     0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    20   6    -0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    21   6    -0.02   0.02   0.00     0.03  -0.03  -0.00    -0.00   0.00   0.00
    22   6     0.03   0.01   0.01    -0.04  -0.01  -0.01     0.01   0.00   0.00
    23   6     0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    24   6    -0.01   0.01   0.00     0.01  -0.01  -0.00    -0.02   0.01   0.00
    25   6    -0.00  -0.02  -0.01     0.00   0.01   0.00    -0.00  -0.00  -0.00
    26   6    -0.00   0.00   0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    27   6     0.00   0.01   0.00    -0.00  -0.01  -0.00    -0.02  -0.07  -0.03
    28   6    -0.00  -0.00  -0.00     0.00   0.00   0.00     0.02   0.01   0.00
    29   6    -0.00   0.00   0.00     0.00  -0.00  -0.00     0.00   0.00  -0.00
    30   6    -0.00  -0.00   0.00     0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    31   1    -0.19   0.21   0.01    -0.13   0.15   0.01     0.00  -0.00  -0.00
    32   1    -0.08  -0.31  -0.21    -0.04  -0.15  -0.10     0.00   0.00   0.00
    33   1     0.20   0.03   0.08     0.42   0.06   0.16    -0.01  -0.00  -0.00
    34   1    -0.03  -0.11  -0.06    -0.10  -0.41  -0.22     0.00   0.02   0.01
    35   1     0.21  -0.20  -0.04    -0.32   0.32   0.06     0.02  -0.02  -0.00
    36   1    -0.34  -0.08  -0.10     0.42   0.09   0.13    -0.07  -0.01  -0.02
    37   1     0.15  -0.13  -0.04    -0.09   0.08   0.02     0.18  -0.15  -0.05
    38   1     0.05   0.20   0.07    -0.04  -0.17  -0.06     0.01   0.06   0.02
    39   1    -0.02  -0.08  -0.03     0.02   0.10   0.04     0.19   0.86   0.31
    40   1     0.02   0.01  -0.00    -0.02  -0.01   0.00    -0.20  -0.07   0.00
    41  35     0.00   0.00   0.00    -0.00   0.00   0.00    -0.00  -0.00   0.00
    42   1     0.00  -0.00  -0.00     0.00   0.00   0.00     0.00   0.01   0.00
                    112                    113                    114
                      A                      A                      A
 Frequencies --   3178.9079              3184.1448              3184.8285
 Red. masses --      1.0897                 1.0960                 1.0958
 Frc consts  --      6.4881                 6.5472                 6.5484
 IR Inten    --      6.8123                 8.9981                 4.7436
 RamAct Fr= 1--    119.1806                92.5142               402.9066
  Dep-P Fr= 1--      0.7335                 0.7265                 0.5235
  Dep-U Fr= 1--      0.8463                 0.8416                 0.6872
 Alpha2 Fr= 1--      0.0337                 0.0373                 1.7750
 Beta2  Fr= 1--     16.8095                12.9765                46.1474
 AlphaG Fr= 1--      0.5782                 0.1267                 2.5617
 Gamma2 Fr= 1--    -27.3379               -59.6803                48.0913
 Delta2 Fr= 1--     11.9183               -39.5150               -29.2776
 Raman1 Fr= 1--     476.723                370.057               1611.626
 ROA1   Fr= 1--   -2243.048              -6993.793               3679.882
 CID1   Fr= 1--      -4.705                -18.899                  2.283
 Raman2 Fr= 1--     201.714                155.718                553.769
 ROA2   Fr= 1--    -751.455              -1116.208               1388.412
 CID2   Fr= 1--      -3.725                 -7.168                  2.507
 Raman3 Fr= 1--     403.428                311.436               1107.537
 ROA3   Fr= 1--   -2243.048              -6993.793               3679.882
 CID3   Fr= 1--      -5.560                -22.457                  3.323
 RC180  Fr= 1--       0.693                  0.683                  0.374
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   1     0.09  -0.10  -0.02     0.01  -0.01  -0.00    -0.01   0.01   0.00
     2   6    -0.01   0.01   0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
     3   6    -0.01  -0.05  -0.05    -0.00  -0.00  -0.00     0.00   0.00   0.00
     4   1     0.07   0.54   0.56     0.01   0.05   0.05    -0.01  -0.04  -0.04
     5   6     0.02   0.00   0.02    -0.00   0.00  -0.00     0.00  -0.00   0.00
     6   1    -0.25   0.00  -0.20     0.02  -0.00   0.01    -0.02   0.00  -0.02
     7   6     0.03  -0.03  -0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
     8   1    -0.31   0.37   0.03    -0.05   0.06   0.00     0.04  -0.04  -0.00
     9   6    -0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    10   6    -0.00   0.00  -0.00     0.03  -0.03  -0.00    -0.03   0.03  -0.00
    11   6    -0.00   0.00   0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    12   6    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    13   6     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    14   6     0.00   0.01   0.01    -0.01  -0.03  -0.02     0.01   0.03   0.02
    15   6     0.00  -0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    16   6    -0.00   0.00   0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    17   6    -0.00  -0.00  -0.00     0.03   0.00   0.01    -0.01  -0.00  -0.00
    18   6     0.00  -0.00  -0.00     0.01   0.03   0.01    -0.00  -0.00  -0.00
    19   6    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00   0.00
    20   6     0.00  -0.00  -0.00     0.00   0.00   0.00     0.00   0.00   0.00
    21   6     0.00  -0.00  -0.00    -0.02   0.02   0.00    -0.02   0.02   0.00
    22   6     0.00   0.00   0.00    -0.02  -0.01  -0.01    -0.03  -0.01  -0.01
    23   6     0.00   0.00  -0.00     0.00   0.00   0.00     0.00   0.00   0.00
    24   6    -0.00   0.00   0.00     0.02  -0.01  -0.00     0.03  -0.02  -0.01
    25   6     0.00   0.00   0.00    -0.01  -0.02  -0.01    -0.01  -0.04  -0.01
    26   6     0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    27   6    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.01  -0.00
    28   6     0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
    29   6     0.00  -0.00  -0.00     0.00   0.00   0.00     0.00   0.00   0.00
    30   6    -0.00   0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00  -0.00
    31   1     0.03  -0.04  -0.00    -0.33   0.37   0.01     0.29  -0.33  -0.01
    32   1    -0.03  -0.10  -0.07     0.09   0.31   0.21    -0.08  -0.30  -0.20
    33   1     0.03   0.00   0.01    -0.34  -0.05  -0.13     0.12   0.02   0.05
    34   1     0.00   0.00   0.00    -0.07  -0.31  -0.16     0.01   0.04   0.02
    35   1    -0.01   0.01   0.00     0.22  -0.23  -0.04     0.18  -0.18  -0.03
    36   1    -0.00  -0.00  -0.00     0.26   0.06   0.08     0.29   0.07   0.09
    37   1     0.00  -0.00  -0.00    -0.17   0.14   0.04    -0.33   0.27   0.08
    38   1    -0.00  -0.00  -0.00     0.07   0.28   0.10     0.12   0.49   0.17
    39   1     0.00   0.00   0.00     0.01   0.05   0.02     0.02   0.08   0.03
    40   1    -0.00  -0.00  -0.00    -0.02  -0.01   0.00    -0.03  -0.01   0.00
    41  35    -0.00   0.00   0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    42   1    -0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.00   0.00   0.00
                    115                    116                    117
                      A                      A                      A
 Frequencies --   3186.2391              3187.6641              3193.9840
 Red. masses --      1.0955                 1.0952                 1.0954
 Frc consts  --      6.5527                 6.5569                 6.5842
 IR Inten    --     55.2162                34.3874                20.1074
 RamAct Fr= 1--    114.2997               754.0204               317.4343
  Dep-P Fr= 1--      0.7500                 0.1232                 0.1723
  Dep-U Fr= 1--      0.8571                 0.2194                 0.2939
 Alpha2 Fr= 1--      0.0000                12.4664                 4.6352
 Beta2  Fr= 1--     16.3285                27.5759                15.5498
 AlphaG Fr= 1--      0.0013                21.1974                -6.7674
 Gamma2 Fr= 1--     77.9274               -87.1047               -24.0216
 Delta2 Fr= 1--     -2.9206               131.6203               -20.3818
 Raman1 Fr= 1--     457.199               3016.082               1269.737
 ROA1   Fr= 1--    7387.569              -4150.197              -2958.290
 CID1   Fr= 1--      16.158                 -1.376                 -2.330
 Raman2 Fr= 1--     195.942                330.911                186.598
 ROA2   Fr= 1--    1893.622              -3143.474               -413.463
 CID2   Fr= 1--       9.664                 -9.499                 -2.216
 Raman3 Fr= 1--     391.884                661.821                373.196
 ROA3   Fr= 1--    7387.569              -4150.197              -2958.290
 CID3   Fr= 1--      18.851                 -6.271                 -7.927
 RC180  Fr= 1--       0.714                 -0.561                 -0.412
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   1     0.00  -0.01  -0.00     0.00  -0.00  -0.00     0.10  -0.11  -0.02
     2   6    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.01   0.01   0.00
     3   6    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.03  -0.03
     4   1     0.00   0.03   0.03     0.00   0.02   0.02     0.04   0.34   0.35
     5   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.06   0.00  -0.04
     6   1     0.02  -0.00   0.01     0.02  -0.00   0.02     0.62  -0.01   0.48
     7   6     0.00  -0.00  -0.00     0.00  -0.00   0.00    -0.02   0.02   0.00
     8   1    -0.02   0.03   0.00    -0.01   0.01   0.00     0.21  -0.25  -0.02
     9   6     0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
    10   6     0.02  -0.02   0.00     0.01  -0.01   0.00    -0.00   0.00   0.00
    11   6    -0.00   0.00   0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    12   6     0.00   0.00   0.00     0.00   0.00   0.00    -0.00   0.00   0.00
    13   6     0.00   0.00   0.00     0.00   0.00   0.00     0.00  -0.00  -0.00
    14   6    -0.01  -0.02  -0.02    -0.00  -0.01  -0.01     0.00   0.00   0.00
    15   6     0.00   0.00   0.00     0.00   0.00   0.00     0.00  -0.00  -0.00
    16   6    -0.00   0.00   0.00     0.00   0.00   0.00    -0.00   0.00  -0.00
    17   6    -0.03  -0.00  -0.01    -0.04  -0.00  -0.01     0.00   0.00   0.00
    18   6    -0.01  -0.04  -0.02    -0.01  -0.03  -0.02     0.00   0.00   0.00
    19   6    -0.00   0.00   0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    20   6    -0.00   0.00   0.00     0.00   0.00   0.00     0.00  -0.00  -0.00
    21   6     0.02  -0.02  -0.00    -0.03   0.03   0.01     0.00  -0.00  -0.00
    22   6     0.02   0.01   0.01    -0.04  -0.01  -0.01     0.00   0.00   0.00
    23   6     0.00   0.00   0.00     0.00  -0.00  -0.00     0.00   0.00  -0.00
    24   6     0.03  -0.02  -0.01    -0.02   0.01   0.00     0.00  -0.00  -0.00
    25   6    -0.01  -0.03  -0.01     0.01   0.02   0.01    -0.00  -0.00  -0.00
    26   6    -0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    27   6    -0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    28   6     0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00  -0.00
    29   6     0.00   0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    30   6    -0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00   0.00   0.00
    31   1    -0.21   0.23   0.01    -0.10   0.11   0.00     0.04  -0.04  -0.00
    32   1     0.07   0.26   0.17     0.04   0.14   0.10    -0.01  -0.02  -0.02
    33   1     0.34   0.05   0.13     0.41   0.06   0.16    -0.01  -0.00  -0.00
    34   1     0.09   0.39   0.20     0.09   0.37   0.19    -0.00  -0.01  -0.00
    35   1    -0.25   0.25   0.05     0.34  -0.34  -0.06    -0.00   0.00   0.00
    36   1    -0.23  -0.05  -0.07     0.44   0.10   0.13    -0.01  -0.00  -0.00
    37   1    -0.27   0.23   0.07     0.18  -0.15  -0.05    -0.00   0.00   0.00
    38   1     0.08   0.34   0.12    -0.05  -0.19  -0.07     0.00   0.00   0.00
    39   1     0.01   0.05   0.02    -0.01  -0.03  -0.01     0.00   0.00   0.00
    40   1    -0.02  -0.01   0.00     0.01   0.00  -0.00    -0.00  -0.00   0.00
    41  35    -0.00   0.00   0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    42   1     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
                    118                    119                    120
                      A                      A                      A
 Frequencies --   3208.9818              3223.4960              3242.0132
 Red. masses --      1.0937                 1.0915                 1.0902
 Frc consts  --      6.6355                 6.6821                 6.7511
 IR Inten    --      3.0703                 3.3139                 0.7994
 RamAct Fr= 1--    179.5753                28.2864                11.8643
  Dep-P Fr= 1--      0.2614                 0.0741                 0.1550
  Dep-U Fr= 1--      0.4144                 0.1380                 0.2684
 Alpha2 Fr= 1--      2.0612                 0.5274                 0.1811
 Beta2  Fr= 1--     12.4029                 0.6504                 0.5307
 AlphaG Fr= 1--     -0.0421                 0.9400                 1.4922
 Gamma2 Fr= 1--     -5.2662                -7.4352                 2.1729
 Delta2 Fr= 1--     -6.4330                 1.8765                 2.1929
 Raman1 Fr= 1--     718.301                113.145                 47.457
 ROA1   Fr= 1--    -711.406               -653.736                278.774
 CID1   Fr= 1--      -0.990                 -5.778                  5.874
 Raman2 Fr= 1--     148.834                  7.805                  6.368
 ROA2   Fr= 1--     -74.924               -193.458                 34.607
 CID2   Fr= 1--      -0.503                -24.786                  5.435
 Raman3 Fr= 1--     297.669                 15.611                 12.736
 ROA3   Fr= 1--    -711.406               -653.736                278.774
 CID3   Fr= 1--      -2.390                -41.878                 21.889
 RC180  Fr= 1--      -0.171                 -0.724                 -0.463
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   1     0.00  -0.00  -0.00    -0.66   0.71   0.09    -0.00   0.00   0.00
     2   6    -0.00   0.00   0.00     0.06  -0.06  -0.01     0.00  -0.00  -0.00
     3   6    -0.00  -0.00  -0.00    -0.00  -0.01  -0.01     0.00  -0.00  -0.00
     4   1     0.00   0.00   0.00     0.02   0.14   0.15     0.00   0.00   0.00
     5   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.00   0.00
     6   1     0.00  -0.00   0.00     0.04  -0.00   0.03    -0.00  -0.00  -0.00
     7   6    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.00   0.00  -0.00
     8   1     0.00  -0.00  -0.00     0.01  -0.02  -0.00     0.00  -0.00  -0.00
     9   6     0.00   0.00   0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    10   6    -0.00   0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    11   6     0.00   0.00   0.00     0.00   0.00   0.00    -0.00  -0.00   0.00
    12   6    -0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00  -0.00   0.00
    13   6    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00   0.00   0.00
    14   6     0.00   0.00   0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    15   6    -0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    16   6     0.00  -0.00  -0.00    -0.00   0.00  -0.00     0.00   0.00   0.00
    17   6     0.00   0.00   0.00     0.00  -0.00   0.00    -0.00  -0.00  -0.00
    18   6     0.00   0.00   0.00     0.00   0.00   0.00    -0.00   0.00  -0.00
    19   6     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00  -0.00  -0.00
    20   6     0.00   0.00   0.00    -0.00   0.00   0.00     0.00   0.00  -0.00
    21   6     0.00  -0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.00   0.00
    22   6     0.00   0.00   0.00     0.00  -0.00   0.00    -0.00  -0.00  -0.00
    23   6    -0.00   0.00   0.00    -0.00  -0.00   0.00    -0.00   0.00   0.00
    24   6     0.00   0.00   0.00     0.00  -0.00  -0.00     0.00   0.00  -0.00
    25   6    -0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    26   6     0.00   0.00  -0.00    -0.00   0.00   0.00     0.00   0.00   0.00
    27   6    -0.00  -0.02  -0.01     0.00   0.00   0.00     0.00   0.00   0.00
    28   6    -0.08  -0.03   0.00    -0.00   0.00   0.00     0.00   0.00   0.00
    29   6    -0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00  -0.00
    30   6     0.00  -0.00  -0.00     0.00   0.00   0.00    -0.02  -0.08  -0.03
    31   1     0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00  -0.00
    32   1    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    33   1    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    34   1    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    35   1    -0.00   0.00   0.00     0.00  -0.00   0.00     0.00  -0.00  -0.00
    36   1    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    37   1    -0.00   0.00   0.00    -0.00   0.00   0.00     0.00  -0.00   0.00
    38   1     0.00   0.01   0.00     0.00   0.00   0.00     0.00  -0.00   0.00
    39   1     0.04   0.20   0.07    -0.00  -0.00  -0.00    -0.00  -0.01  -0.00
    40   1     0.92   0.32  -0.01     0.00   0.00   0.00    -0.01  -0.00   0.00
    41  35     0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    42   1     0.00   0.01   0.00    -0.00  -0.00  -0.00     0.20   0.90   0.38

 -------------------
 - Thermochemistry -
 -------------------
 Temperature   298.150 Kelvin.  Pressure   1.00000 Atm.
 Atom     1 has atomic number  1 and mass   1.00783
 Atom     2 has atomic number  6 and mass  12.00000
 Atom     3 has atomic number  6 and mass  12.00000
 Atom     4 has atomic number  1 and mass   1.00783
 Atom     5 has atomic number  6 and mass  12.00000
 Atom     6 has atomic number  1 and mass   1.00783
 Atom     7 has atomic number  6 and mass  12.00000
 Atom     8 has atomic number  1 and mass   1.00783
 Atom     9 has atomic number  6 and mass  12.00000
 Atom    10 has atomic number  6 and mass  12.00000
 Atom    11 has atomic number  6 and mass  12.00000
 Atom    12 has atomic number  6 and mass  12.00000
 Atom    13 has atomic number  6 and mass  12.00000
 Atom    14 has atomic number  6 and mass  12.00000
 Atom    15 has atomic number  6 and mass  12.00000
 Atom    16 has atomic number  6 and mass  12.00000
 Atom    17 has atomic number  6 and mass  12.00000
 Atom    18 has atomic number  6 and mass  12.00000
 Atom    19 has atomic number  6 and mass  12.00000
 Atom    20 has atomic number  6 and mass  12.00000
 Atom    21 has atomic number  6 and mass  12.00000
 Atom    22 has atomic number  6 and mass  12.00000
 Atom    23 has atomic number  6 and mass  12.00000
 Atom    24 has atomic number  6 and mass  12.00000
 Atom    25 has atomic number  6 and mass  12.00000
 Atom    26 has atomic number  6 and mass  12.00000
 Atom    27 has atomic number  6 and mass  12.00000
 Atom    28 has atomic number  6 and mass  12.00000
 Atom    29 has atomic number  6 and mass  12.00000
 Atom    30 has atomic number  6 and mass  12.00000
 Atom    31 has atomic number  1 and mass   1.00783
 Atom    32 has atomic number  1 and mass   1.00783
 Atom    33 has atomic number  1 and mass   1.00783
 Atom    34 has atomic number  1 and mass   1.00783
 Atom    35 has atomic number  1 and mass   1.00783
 Atom    36 has atomic number  1 and mass   1.00783
 Atom    37 has atomic number  1 and mass   1.00783
 Atom    38 has atomic number  1 and mass   1.00783
 Atom    39 has atomic number  1 and mass   1.00783
 Atom    40 has atomic number  1 and mass   1.00783
 Atom    41 has atomic number 35 and mass  78.91834
 Atom    42 has atomic number  1 and mass   1.00783
 Molecular mass:   406.03571 amu.
 Principal axes and moments of inertia in atomic units:
                           1         2         3
     Eigenvalues --  8249.80459********************
           X            0.99894  -0.02304   0.03991
           Y            0.02242   0.99962   0.01579
           Z           -0.04026  -0.01488   0.99908
 This molecule is an asymmetric top.
 Rotational symmetry number  1.
 Warning -- assumption of classical behavior for rotation
           may cause significant error
 Rotational temperatures (Kelvin)      0.01050     0.00804     0.00584
 Rotational constants (GHZ):           0.21876     0.16762     0.12163
 Zero-point vibrational energy     850985.4 (Joules/Mol)
                                  203.39040 (Kcal/Mol)
 Warning -- explicit consideration of  31 degrees of freedom as
           vibrations may cause significant error
 Vibrational temperatures:     44.91    71.26    79.14   122.66   135.64
          (Kelvin)            152.30   191.26   246.95   278.32   330.20
                              376.11   392.30   401.04   417.21   461.66
                              485.64   549.15   598.09   617.63   630.12
                              638.40   642.14   696.80   712.37   751.42
                              759.38   776.60   783.75   827.73   846.15
                              880.71   903.42   923.39   937.14   982.89
                              997.38  1018.11  1031.04  1087.76  1093.57
                             1100.54  1118.49  1126.88  1144.46  1172.96
                             1193.66  1207.06  1223.29  1230.64  1232.28
                             1245.93  1277.66  1336.29  1345.75  1350.73
                             1367.93  1371.09  1376.53  1383.23  1390.98
                             1394.33  1427.86  1461.96  1529.53  1546.24
                             1590.59  1617.85  1650.75  1684.13  1686.25
                             1700.37  1702.28  1709.63  1742.00  1754.63
                             1771.15  1784.08  1794.78  1801.34  1847.55
                             1872.60  1901.76  1960.45  1963.22  1983.05
                             1996.15  2003.39  2017.96  2052.18  2058.29
                             2096.83  2105.42  2124.33  2173.41  2180.53
                             2211.87  2229.66  2240.46  2284.78  2323.74
                             2354.80  2364.42  2377.46  2389.41  2393.34
                             4554.53  4555.60  4557.59  4558.70  4560.67
                             4565.26  4573.74  4581.27  4582.26  4584.29
                             4586.34  4595.43  4617.01  4637.89  4664.53
 
 Zero-point correction=                           0.324123 (Hartree/Particle)
 Thermal correction to Energy=                    0.342981
 Thermal correction to Enthalpy=                  0.343925
 Thermal correction to Gibbs Free Energy=         0.276791
 Sum of electronic and zero-point Energies=          -3574.171456
 Sum of electronic and thermal Energies=             -3574.152598
 Sum of electronic and thermal Enthalpies=           -3574.151654
 Sum of electronic and thermal Free Energies=        -3574.218788
 
                     E (Thermal)             CV                S
                      KCal/Mol        Cal/Mol-Kelvin    Cal/Mol-Kelvin
 Total                  215.224             79.570            141.295
 Electronic               0.000              0.000              0.000
 Translational            0.889              2.981             43.895
 Rotational               0.889              2.981             35.531
 Vibrational            213.446             73.609             61.869
 Vibration     1          0.594              1.983              5.751
 Vibration     2          0.595              1.978              4.836
 Vibration     3          0.596              1.976              4.629
 Vibration     4          0.601              1.959              3.766
 Vibration     5          0.603              1.953              3.569
 Vibration     6          0.605              1.945              3.344
 Vibration     7          0.613              1.920              2.903
 Vibration     8          0.626              1.877              2.417
 Vibration     9          0.635              1.849              2.195
 Vibration    10          0.652              1.796              1.883
 Vibration    11          0.669              1.743              1.652
 Vibration    12          0.676              1.724              1.579
 Vibration    13          0.679              1.713              1.541
 Vibration    14          0.686              1.692              1.474
 Vibration    15          0.706              1.634              1.306
 Vibration    16          0.718              1.601              1.224
 Vibration    17          0.751              1.509              1.033
 Vibration    18          0.779              1.436              0.907
 Vibration    19          0.791              1.407              0.861
 Vibration    20          0.798              1.387              0.833
 Vibration    21          0.803              1.375              0.815
 Vibration    22          0.806              1.369              0.807
 Vibration    23          0.840              1.285              0.699
 Vibration    24          0.851              1.261              0.670
 Vibration    25          0.877              1.201              0.605
 Vibration    26          0.883              1.188              0.592
 Vibration    27          0.895              1.162              0.566
 Vibration    28          0.900              1.151              0.555
 Vibration    29          0.932              1.085              0.494
 Vibration    30          0.945              1.057              0.471
 Vibration    31          0.971              1.006              0.429
                       Q            Log10(Q)             Ln(Q)
 Total Bot       0.484223-127       -127.314955       -293.153517
 Total V=0       0.590543D+22         21.771252         50.130160
 Vib (Bot)       0.115866-142       -142.936043       -329.122402
 Vib (Bot)    1  0.663183D+01          0.821633          1.891881
 Vib (Bot)    2  0.417377D+01          0.620528          1.428819
 Vib (Bot)    3  0.375639D+01          0.574771          1.323459
 Vib (Bot)    4  0.241366D+01          0.382677          0.881146
 Vib (Bot)    5  0.217931D+01          0.338319          0.779008
 Vib (Bot)    6  0.193649D+01          0.287015          0.660876
 Vib (Bot)    7  0.153246D+01          0.185388          0.426872
 Vib (Bot)    8  0.117349D+01          0.069480          0.159985
 Vib (Bot)    9  0.103331D+01          0.014232          0.032770
 Vib (Bot)   10  0.858392D+00         -0.066314         -0.152694
 Vib (Bot)   11  0.742507D+00         -0.129299         -0.297722
 Vib (Bot)   12  0.707823D+00         -0.150075         -0.345561
 Vib (Bot)   13  0.690209D+00         -0.161019         -0.370760
 Vib (Bot)   14  0.659493D+00         -0.180790         -0.416283
 Vib (Bot)   15  0.585542D+00         -0.232442         -0.535217
 Vib (Bot)   16  0.550973D+00         -0.258870         -0.596070
 Vib (Bot)   17  0.473159D+00         -0.324993         -0.748324
 Vib (Bot)   18  0.423786D+00         -0.372854         -0.858527
 Vib (Bot)   19  0.406123D+00         -0.391342         -0.901099
 Vib (Bot)   20  0.395366D+00         -0.403000         -0.927942
 Vib (Bot)   21  0.388450D+00         -0.410665         -0.945592
 Vib (Bot)   22  0.385378D+00         -0.414113         -0.953530
 Vib (Bot)   23  0.344058D+00         -0.463369         -1.066945
 Vib (Bot)   24  0.333380D+00         -0.477060         -1.098472
 Vib (Bot)   25  0.308424D+00         -0.510852         -1.176281
 Vib (Bot)   26  0.303637D+00         -0.517646         -1.191924
 Vib (Bot)   27  0.293590D+00         -0.532258         -1.225570
 Vib (Bot)   28  0.289545D+00         -0.538284         -1.239445
 Vib (Bot)   29  0.266117D+00         -0.574927         -1.323818
 Vib (Bot)   30  0.256999D+00         -0.590069         -1.358684
 Vib (Bot)   31  0.240889D+00         -0.618183         -1.423419
 Vib (V=0)       0.141307D+07          6.150163         14.161275
 Vib (V=0)    1  0.715065D+01          0.854346          1.967203
 Vib (V=0)    2  0.470361D+01          0.672431          1.548330
 Vib (V=0)    3  0.428952D+01          0.632409          1.456175
 Vib (V=0)    4  0.296491D+01          0.472011          1.086846
 Vib (V=0)    5  0.273593D+01          0.437105          1.006472
 Vib (V=0)    6  0.250000D+01          0.397939          0.916289
 Vib (V=0)    7  0.211196D+01          0.324686          0.747618
 Vib (V=0)    8  0.177557D+01          0.249338          0.574123
 Vib (V=0)    9  0.164793D+01          0.216938          0.499518
 Vib (V=0)   10  0.149340D+01          0.174175          0.401053
 Vib (V=0)   11  0.139516D+01          0.144625          0.333011
 Vib (V=0)   12  0.136661D+01          0.135645          0.312334
 Vib (V=0)   13  0.135228D+01          0.131068          0.301795
 Vib (V=0)   14  0.132761D+01          0.123069          0.283377
 Vib (V=0)   15  0.126997D+01          0.103795          0.238996
 Vib (V=0)   16  0.124402D+01          0.094829          0.218351
 Vib (V=0)   17  0.118839D+01          0.074959          0.172599
 Vib (V=0)   18  0.115543D+01          0.062745          0.144476
 Vib (V=0)   19  0.114416D+01          0.058485          0.134667
 Vib (V=0)   20  0.113743D+01          0.055924          0.128770
 Vib (V=0)   21  0.113316D+01          0.054292          0.125011
 Vib (V=0)   22  0.113128D+01          0.053571          0.123351
 Vib (V=0)   23  0.110694D+01          0.044124          0.101599
 Vib (V=0)   24  0.110095D+01          0.041768          0.096175
 Vib (V=0)   25  0.108747D+01          0.036419          0.083857
 Vib (V=0)   26  0.108497D+01          0.035420          0.081556
 Vib (V=0)   27  0.107982D+01          0.033353          0.076798
 Vib (V=0)   28  0.107779D+01          0.032532          0.074909
 Vib (V=0)   29  0.106641D+01          0.027924          0.064296
 Vib (V=0)   30  0.106218D+01          0.026199          0.060325
 Vib (V=0)   31  0.105500D+01          0.023253          0.053543
 Electronic      0.100000D+01          0.000000          0.000000
 Translational   0.321588D+09          8.507300         19.588783
 Rotational      0.129953D+08          7.113788         16.380102
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        1           0.000000727    0.000004053    0.000006644
      2        6           0.000003065   -0.000008672   -0.000011693
      3        6           0.000005941    0.000006058    0.000003857
      4        1           0.000003250   -0.000000312   -0.000001210
      5        6          -0.000001420    0.000009196    0.000008936
      6        1          -0.000001643   -0.000001817   -0.000002251
      7        6          -0.000003939    0.000008091   -0.000004810
      8        1           0.000002058    0.000003161    0.000000564
      9        6          -0.000015950   -0.000009385   -0.000001549
     10        6           0.000005293    0.000009405    0.000000391
     11        6           0.000009584   -0.000040956   -0.000007620
     12        6          -0.000016518    0.000008065    0.000010697
     13        6           0.000006271   -0.000004800    0.000006807
     14        6          -0.000007262   -0.000001457   -0.000010258
     15        6           0.000018885    0.000010771   -0.000000638
     16        6          -0.000013956    0.000003841    0.000000905
     17        6           0.000003065    0.000001092   -0.000006770
     18        6           0.000003315   -0.000006214    0.000010773
     19        6           0.000011601   -0.000001173   -0.000010189
     20        6          -0.000004594    0.000003861   -0.000004920
     21        6          -0.000010091   -0.000010591   -0.000000566
     22        6           0.000007979    0.000001826    0.000003474
     23        6           0.000005067    0.000001723   -0.000003205
     24        6          -0.000007370   -0.000004068    0.000003561
     25        6           0.000001717   -0.000001736    0.000001556
     26        6          -0.000010810   -0.000002813   -0.000003404
     27        6           0.000000015   -0.000004054   -0.000010698
     28        6          -0.000000874    0.000010449    0.000010827
     29        6           0.000003989   -0.000008066    0.000003091
     30        6           0.000000766    0.000004473    0.000020881
     31        1          -0.000002690   -0.000000595   -0.000000621
     32        1          -0.000002149   -0.000000099    0.000001827
     33        1          -0.000001215   -0.000001056   -0.000000142
     34        1          -0.000001101   -0.000000943   -0.000000714
     35        1           0.000000024   -0.000000617    0.000000755
     36        1           0.000000671    0.000001377   -0.000000171
     37        1           0.000002346   -0.000000317    0.000000985
     38        1           0.000002311   -0.000002531    0.000000409
     39        1           0.000000778   -0.000001359   -0.000000012
     40        1           0.000001457   -0.000001965    0.000000314
     41       35          -0.000008002   -0.000010758   -0.000003298
     42        1           0.000009405    0.000038910   -0.000012513
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000040956 RMS     0.000008145
 End of FrcOut F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.474253D+03 -0.187190D+02  0.501661D+02
      2  -0.187190D+02  0.443690D+03  0.420840D+02
      3   0.501661D+02  0.420840D+02  0.252687D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1   0.226441D+03 -0.683854D+02  0.169568D+03
      2  -0.123373D+03 -0.966328D+02 -0.489642D+02
      3   0.163577D+03  0.825467D+03 -0.293114D+03
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1  -0.727359D+03  0.707930D+02 -0.348043D+03
      2   0.243111D+03  0.159249D+02 -0.198921D+02
      3   0.484248D+03 -0.867178D+02  0.367935D+03
      4   0.120626D+03 -0.391678D+03 -0.346215D+03
      5  -0.146646D+03 -0.235804D+03  0.658300D+02
      6  -0.329878D+03  0.118037D+03 -0.193211D+03
 End of FrcOut F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=   126 ND12= 1 LenFil=    4539:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.116457D+01  0.126399D+01  0.667703D-02  0.603953D+00 -0.760499D+00
      2   0.126399D+01 -0.183134D+01  0.359216D+00 -0.760499D+00  0.181440D+01
      3   0.667703D-02  0.359216D+00 -0.958415D+00 -0.518719D+00  0.299006D+00
                 6             7             8             9            10 
      1  -0.518719D+00 -0.253130D+00 -0.184507D+00 -0.454694D+00 -0.365566D+01
      2   0.299006D+00 -0.184507D+00 -0.581015D+00  0.766685D+00  0.111380D+01
      3   0.109226D+01 -0.454694D+00  0.766685D+00  0.416896D+00 -0.236103D+01
                11            12            13            14            15 
      1   0.111380D+01 -0.236103D+01 -0.229224D+01  0.660401D+00 -0.169116D+01
      2  -0.132226D+01 -0.100054D+01  0.660401D+00  0.242584D+00 -0.116388D+01
      3  -0.100054D+01 -0.849738D+01 -0.169116D+01 -0.116388D+01 -0.163513D+01
                16            17            18            19            20 
      1  -0.392479D+01  0.771994D+00 -0.521986D+01  0.467634D+01 -0.158632D+01
      2   0.771994D+00 -0.674333D+01  0.172970D+01 -0.158632D+01  0.521414D+01
      3  -0.521986D+01  0.172970D+01 -0.711508D+01  0.209873D+01 -0.402146D+00
                21            22            23            24            25 
      1   0.209873D+01  0.363145D+01  0.133828D+01  0.355104D+01  0.398311D+01
      2  -0.402146D+00  0.133828D+01 -0.110254D+01  0.295351D+00 -0.187748D+01
      3  -0.376770D+00  0.355104D+01  0.295351D+00  0.161826D+01  0.420516D+01
                26            27            28            29            30 
      1  -0.187748D+01  0.420516D+01  0.843251D+00  0.235494D+00  0.147915D+01
      2   0.224556D+01 -0.295491D+01  0.235494D+00  0.240765D+00 -0.771823D-02
      3  -0.295491D+01  0.123177D+02  0.147915D+01 -0.771823D-02  0.195430D+01
                31            32            33            34            35 
      1   0.208722D+00  0.879064D+00  0.123214D+01  0.140596D+01  0.115594D+01
      2   0.879064D+00  0.190220D+01  0.292311D+01  0.115594D+01  0.165951D+01
      3   0.123214D+01  0.292311D+01  0.591361D+01  0.213297D+01  0.317708D+01
                36            37            38            39            40 
      1   0.213297D+01  0.615047D+01  0.417144D+00  0.307893D+01  0.811838D+01
      2   0.317708D+01  0.417144D+00  0.235966D+01  0.947024D+00 -0.240424D+01
      3   0.652785D+01  0.307893D+01  0.947024D+00  0.389857D+01  0.239956D+01
                41            42            43            44            45 
      1  -0.240424D+01  0.239956D+01  0.595470D+01 -0.478217D+01  0.634940D+01
      2   0.462367D+01 -0.797296D+00 -0.478217D+01  0.700942D+01 -0.461234D+01
      3  -0.797296D+00 -0.188932D+01  0.634940D+01 -0.461234D+01  0.114585D+02
                46            47            48            49            50 
      1   0.834454D+01 -0.167127D+01  0.652444D+01 -0.798068D+00  0.907063D+00
      2  -0.167127D+01  0.675687D+00 -0.155720D+01  0.907063D+00 -0.242751D+00
      3   0.652444D+01 -0.155720D+01  0.606277D+01  0.143940D+00  0.634490D+00
                51            52            53            54            55 
      1   0.143940D+00  0.577406D+01 -0.491192D+00  0.509634D+01 -0.131925D+01
      2   0.634490D+00 -0.491192D+00  0.178068D+00 -0.445457D+00  0.154372D+01
      3   0.109833D+01  0.509634D+01 -0.445457D+00  0.505485D+01 -0.370269D+01
                56            57            58            59            60 
      1   0.154372D+01 -0.370269D+01 -0.629068D+01  0.195401D+01 -0.667793D+01
      2  -0.320995D+01  0.213056D+01  0.195401D+01 -0.572325D+01  0.434039D+01
      3   0.213056D+01 -0.246111D+01 -0.667793D+01  0.434039D+01 -0.743273D+01
                61            62            63            64            65 
      1  -0.117416D+02  0.262731D+01 -0.677506D+01  0.539528D+01 -0.466303D+01
      2   0.262731D+01 -0.243680D+01  0.142491D+01 -0.466303D+01  0.461473D+01
      3  -0.677506D+01  0.142491D+01 -0.724275D+01  0.118344D+01 -0.119144D+01
                66            67            68            69            70 
      1   0.118344D+01 -0.483806D+01  0.488681D+01 -0.470944D+00  0.457958D+00
      2  -0.119144D+01  0.488681D+01 -0.583135D+01  0.799053D+00  0.871504D-01
      3   0.714614D+00 -0.470944D+00  0.799053D+00 -0.344354D+00  0.520858D+00
                71            72            73            74            75 
      1   0.871504D-01  0.520858D+00  0.132506D+02 -0.461337D+01  0.120696D+02
      2  -0.648360D+00 -0.636686D+00 -0.461337D+01  0.495678D+01 -0.304558D+01
      3  -0.636686D+00  0.111031D+00  0.120696D+02 -0.304558D+01  0.120229D+02
                76            77            78            79            80 
      1  -0.166084D+02  0.644450D+01 -0.194952D+02 -0.171432D+01  0.731296D+00
      2   0.644450D+01 -0.709932D+01  0.313501D+01  0.731296D+00  0.874683D+00
      3  -0.194952D+02  0.313501D+01 -0.226085D+02 -0.200634D+01 -0.126074D+01
                81            82            83            84            85 
      1  -0.200634D+01  0.190477D+02 -0.142134D+02  0.109836D+02  0.704647D+01
      2  -0.126074D+01 -0.142134D+02  0.272630D+02 -0.389375D+01 -0.305211D+01
      3  -0.497267D+01  0.109836D+02 -0.389375D+01  0.137657D+02  0.604631D+01
                86            87            88            89            90 
      1  -0.305211D+01  0.604631D+01  0.112955D+02 -0.863443D+01  0.137519D+02
      2  -0.164440D+01  0.692164D+00 -0.863443D+01  0.219565D+02 -0.776975D+01
      3   0.692164D+00  0.713490D+01  0.137519D+02 -0.776975D+01  0.152312D+02
                91            92            93            94            95 
      1  -0.231272D+02  0.599649D+01 -0.199164D+02  0.923964D+01 -0.226982D+01
      2   0.599649D+01 -0.850450D+01  0.365784D+01 -0.226982D+01  0.441946D+01
      3  -0.199164D+02  0.365784D+01 -0.201859D+02  0.128379D+02 -0.559484D+00
                96            97            98            99           100 
      1   0.128379D+02 -0.380627D+01  0.195144D+01 -0.379022D+01  0.103371D+02
      2  -0.559484D+00  0.195144D+01  0.125363D+01  0.209865D+01  0.225360D+01
      3   0.151752D+02 -0.379022D+01  0.209865D+01 -0.326086D+01  0.100411D+02
               101           102           103           104           105 
      1   0.225360D+01  0.100411D+02  0.271768D+02 -0.253875D+02  0.169572D+02
      2  -0.637136D+01 -0.339978D+00 -0.253875D+02  0.494258D+02 -0.122149D+02
      3  -0.339978D+00  0.962691D+01  0.169572D+02 -0.122149D+02  0.114472D+02
               106           107           108           109           110 
      1   0.194182D+02 -0.103996D+02  0.144969D+02 -0.625973D+01 -0.450563D+01
      2  -0.103996D+02  0.226914D+02 -0.572800D+01 -0.450563D+01  0.983102D+01
      3   0.144969D+02 -0.572800D+01  0.128714D+02 -0.783738D+01  0.930444D+00
               111           112           113           114           115 
      1  -0.783738D+01 -0.300027D+02  0.288290D+02 -0.199666D+02 -0.148609D+02
      2   0.930444D+00  0.288290D+02 -0.599370D+02  0.162840D+02  0.103508D+02
      3  -0.627978D+01 -0.199666D+02  0.162840D+02 -0.135295D+02 -0.123405D+02
               116           117           118           119           120 
      1   0.103508D+02 -0.123405D+02 -0.234364D+02  0.229070D+02 -0.135443D+02
      2  -0.185789D+02  0.483669D+01  0.229070D+02 -0.465232D+02  0.124265D+02
      3   0.483669D+01 -0.113291D+02 -0.135443D+02  0.124265D+02 -0.107607D+02
               121           122           123           124           125 
      1   0.676286D+01 -0.132826D+02  0.462004D+01 -0.102927D+02  0.111148D+02
      2  -0.132826D+02  0.200654D+02 -0.618036D+01  0.111148D+02 -0.183203D+02
      3   0.462004D+01 -0.618036D+01  0.340531D+01 -0.720361D+01  0.346630D+01
               126           127           128           129           130 
      1  -0.720361D+01  0.234696D+02 -0.108401D+02  0.798660D+01  0.263908D+01
      2   0.346630D+01 -0.108401D+02  0.802314D+02 -0.900099D+01  0.172881D+02
      3  -0.127243D+02  0.798660D+01 -0.900099D+01  0.328385D+01 -0.892917D+00
               131           132           133           134           135 
      1   0.172881D+02 -0.892917D+00  0.780510D+01  0.261948D+01  0.119945D+01
      2   0.202524D+02  0.424217D+01  0.261948D+01  0.291983D+02 -0.113546D+01
      3   0.424217D+01  0.304321D+00  0.119945D+01 -0.113546D+01  0.296749D+00
               136           137           138           139           140 
      1  -0.238890D+02  0.784349D+01 -0.741169D+01 -0.253072D+01 -0.111699D+02
      2   0.784349D+01 -0.809558D+02  0.107152D+02 -0.111699D+02 -0.167349D+02
      3  -0.741169D+01  0.107152D+02 -0.275868D+01  0.636351D-01 -0.146177D+01
               141           142           143           144           145 
      1   0.636351D-01 -0.614507D+01  0.551459D+00 -0.457162D+01 -0.131865D+02
      2  -0.146177D+01  0.551459D+00 -0.280246D+02  0.276594D+01 -0.998992D+00
      3  -0.123131D+00 -0.457162D+01  0.276594D+01 -0.231744D+01 -0.623986D+01
               146           147           148           149           150 
      1  -0.998992D+00 -0.623986D+01  0.143704D+02  0.363256D+01  0.103384D+02
      2  -0.176991D+02  0.329283D+00  0.363256D+01  0.457520D+02 -0.380510D+01
      3   0.329283D+00 -0.652120D+01  0.103384D+02 -0.380510D+01  0.903188D+01
               151           152           153           154           155 
      1   0.311605D+01  0.311124D+01 -0.345566D+01  0.179000D+02 -0.327613D+01
      2   0.311124D+01  0.667550D+01 -0.299935D+00 -0.327613D+01  0.208070D+02
      3  -0.345566D+01 -0.299935D+00 -0.499167D+01  0.143303D+02 -0.377724D+01
               156           157           158           159           160 
      1   0.143303D+02 -0.166914D+02 -0.354761D+01 -0.726286D+01  0.315060D+01
      2  -0.377724D+01 -0.354761D+01 -0.291495D+02  0.358128D+01 -0.666791D+00
      3   0.125791D+02 -0.726286D+01  0.358128D+01 -0.604687D+01  0.256845D+01
               161           162           163           164           165 
      1  -0.666791D+00  0.256845D+01  0.361392D+02  0.207595D+02 -0.229059D+01
      2   0.251653D+01 -0.597532D+01  0.207595D+02  0.386199D+02 -0.227222D+01
      3  -0.597532D+01 -0.400910D+00 -0.229059D+01 -0.227222D+01  0.722908D+00
               166           167           168           169           170 
      1  -0.201113D+02 -0.191081D+02  0.247345D+00 -0.499029D+01 -0.471448D+01
      2  -0.191081D+02 -0.575062D+02 -0.116125D+01 -0.471448D+01 -0.185989D+02
      3   0.247345D+00 -0.116125D+01 -0.592651D+00  0.175522D+00 -0.315365D+00
               171           172           173           174           175 
      1   0.175522D+00 -0.319604D+02 -0.202846D+02  0.325087D+01  0.257707D+02
      2  -0.315365D+00 -0.202846D+02 -0.366810D+02  0.281059D+01  0.247422D+02
      3  -0.413695D+00  0.325087D+01  0.281059D+01  0.418254D+00 -0.666373D+00
               176           177           178           179           180 
      1   0.247422D+02 -0.666373D+00  0.496705D+01  0.511827D+01 -0.180971D+01
      2   0.726537D+02 -0.170316D+01  0.511827D+01  0.168979D+02  0.132161D+01
      3  -0.170316D+01  0.296810D+00 -0.180971D+01  0.132161D+01  0.864327D+00
               181           182           183           184           185 
      1   0.146744D+02  0.100777D+02 -0.128711D+01  0.280035D+02  0.157344D+01
      2   0.100777D+02  0.156912D+02 -0.277409D+01  0.157344D+01  0.367643D+02
      3  -0.128711D+01 -0.277409D+01 -0.762433D+00  0.346639D+01 -0.658657D+01
               186           187           188           189           190 
      1   0.346639D+01  0.118778D+02  0.872290D+00 -0.328726D+01 -0.613843D+01
      2  -0.658657D+01  0.872290D+00  0.955083D+01  0.251290D+01 -0.488262D+01
      3   0.320327D+01 -0.328726D+01  0.251290D+01  0.577167D+00  0.235070D+01
               191           192           193           194           195 
      1  -0.488262D+01  0.235070D+01 -0.289181D+02  0.541162D+01 -0.801054D+00
      2   0.295138D+01 -0.193680D+01  0.541162D+01 -0.503891D+02  0.820352D+01
      3  -0.193680D+01 -0.976339D+00 -0.801054D+00  0.820352D+01 -0.235180D+01
               196           197           198           199           200 
      1  -0.609901D+01  0.243329D+01 -0.519367D+01 -0.161822D+02 -0.123539D+02
      2   0.243329D+01 -0.105140D+02  0.193001D+00 -0.123539D+02 -0.120046D+02
      3  -0.519367D+01  0.193001D+00 -0.247413D+01 -0.356434D+00  0.206466D+01
               201           202           203           204           205 
      1  -0.356434D+00 -0.424936D+02 -0.112382D+02  0.110200D+02 -0.196404D+02
      2   0.206466D+01 -0.112382D+02 -0.139881D+02  0.662367D+00 -0.408730D+01
      3  -0.139628D-01  0.110200D+02  0.662367D+00 -0.222553D+01  0.353557D+01
               206           207           208           209           210 
      1  -0.408730D+01  0.353557D+01 -0.329504D+02 -0.180365D+02  0.588053D+01
      2  -0.844534D+01  0.129151D+00 -0.180365D+02 -0.496674D+02 -0.840016D-01
      3   0.129151D+00 -0.194777D+01  0.588053D+01 -0.840016D-01 -0.506943D+01
               211           212           213           214           215 
      1  -0.165031D+02 -0.191482D+02  0.275567D+01 -0.274694D+01 -0.336464D+01
      2  -0.191482D+02 -0.469663D+02  0.535731D+00 -0.336464D+01 -0.120072D+02
      3   0.275567D+01  0.535731D+00 -0.101429D+01 -0.466359D+01  0.190775D+01
               216           217           218           219           220 
      1  -0.466359D+01  0.480951D+02  0.179713D+02 -0.108191D+02 -0.534730D+01
      2   0.190775D+01  0.179713D+02  0.420693D+02 -0.825277D+00 -0.429833D+00
      3   0.269020D+01 -0.108191D+02 -0.825277D+00  0.538779D+01  0.241394D+01
               221           222           223           224           225 
      1  -0.429833D+00  0.241394D+01 -0.407101D+01 -0.426399D+00  0.324852D+01
      2   0.138659D+02 -0.135429D+01 -0.426399D+00  0.306554D+00  0.614494D+01
      3  -0.135429D+01  0.434912D+00  0.324852D+01  0.614494D+01  0.185111D+01
               226           227           228           229           230 
      1  -0.102822D+02  0.213616D+01  0.519107D+01  0.483378D+02  0.153307D+02
      2   0.213616D+01  0.504051D+01 -0.680236D-01  0.153307D+02  0.175657D+02
      3   0.519107D+01 -0.680236D-01 -0.183633D+01 -0.124568D+02 -0.187631D+01
               231           232           233           234           235 
      1  -0.124568D+02  0.172435D+02  0.474012D+01 -0.493636D+01 -0.524085D+01
      2  -0.187631D+01  0.474012D+01  0.424133D+01  0.984909D+00 -0.744378D+01
      3   0.262919D+01 -0.493636D+01  0.984909D+00  0.252492D+01 -0.956329D+00
               236           237           238           239           240 
      1  -0.744378D+01 -0.956329D+00  0.488659D+01  0.413452D+01 -0.421669D+00
      2  -0.109715D+02  0.120648D+01  0.413452D+01  0.495915D+01 -0.268707D+01
      3   0.120648D+01  0.108274D+00 -0.421669D+00 -0.268707D+01  0.873930D+00
               241           242           243           244           245 
      1   0.488304D+01  0.362284D+01  0.165248D+01  0.162077D+02  0.595142D+01
      2   0.362284D+01  0.113738D+01  0.232687D+01  0.595142D+01  0.128797D+02
      3   0.165248D+01  0.232687D+01  0.232087D+01 -0.234598D+01  0.145676D+00
               246           247           248           249           250 
      1  -0.234598D+01  0.789148D+01 -0.441993D+01 -0.653572D+01  0.129610D+01
      2   0.145676D+00 -0.441993D+01 -0.423551D+01 -0.342148D+00 -0.484264D+01
      3   0.346768D+01 -0.653572D+01 -0.342148D+00  0.161982D+01  0.250983D+01
               251           252           253           254           255 
      1  -0.484264D+01  0.250983D+01  0.234408D+02  0.571581D+01 -0.651626D+01
      2  -0.647692D+01  0.245592D+01  0.571581D+01  0.641914D+01 -0.243653D+00
      3   0.245592D+01 -0.152679D+01 -0.651626D+01 -0.243653D+00  0.220729D+01
               256           257           258           259           260 
      1  -0.778832D+01  0.153567D+01  0.215576D+01 -0.751626D+01 -0.176443D+01
      2   0.153567D+01  0.362970D+01 -0.473530D+00 -0.176443D+01  0.150826D+00
      3   0.215576D+01 -0.473530D+00  0.810305D+00  0.454628D+01  0.120700D+01
               261           262           263           264           265 
      1   0.454628D+01 -0.273641D+02 -0.173075D+01  0.963314D+01 -0.189312D+01
      2   0.120700D+01 -0.173075D+01 -0.543983D+01 -0.128983D+01 -0.606688D+00
      3  -0.228687D+01  0.963314D+01 -0.128983D+01 -0.422122D+01  0.192309D+01
               266           267           268           269           270 
      1  -0.606688D+00  0.192309D+01  0.317577D+01  0.128944D+01 -0.115513D+01
      2  -0.208832D+01  0.120202D+01  0.128944D+01  0.487975D+01 -0.254964D+01
      3   0.120202D+01 -0.158587D+01 -0.115513D+01 -0.254964D+01 -0.769978D+00
               271           272           273           274           275 
      1   0.329337D+01 -0.456437D+01  0.801562D-02 -0.300691D+01  0.485605D+01
      2  -0.456437D+01  0.690184D+01 -0.138164D+00  0.485605D+01 -0.959698D+01
      3   0.801562D-02 -0.138164D+00  0.684257D+00  0.830528D+00 -0.113045D+01
               276           277           278           279           280 
      1   0.830528D+00  0.883334D+00 -0.638118D-02  0.812899D+00 -0.683583D+00
      2  -0.113045D+01 -0.638118D-02 -0.150775D+01 -0.688256D+00 -0.668041D+00
      3  -0.224516D+00  0.812899D+00 -0.688256D+00 -0.302120D-01 -0.101124D+01
               281           282           283           284           285 
      1  -0.668041D+00 -0.101124D+01 -0.341836D-01 -0.128072D+01 -0.267370D+00
      2  -0.199806D+01 -0.703722D+00 -0.128072D+01 -0.106118D+02 -0.500990D+01
      3  -0.703722D+00 -0.130763D+01 -0.267370D+00 -0.500990D+01 -0.305917D+01
               286           287           288           289           290 
      1  -0.957303D+00 -0.126008D+01 -0.728438D+00 -0.126894D+02 -0.360573D+01
      2  -0.126008D+01 -0.551968D+01 -0.369020D+01 -0.360573D+01 -0.791678D+00
      3  -0.728438D+00 -0.369020D+01 -0.205073D+01 -0.523370D+01 -0.132378D+01
               291           292           293           294           295 
      1  -0.523370D+01 -0.167319D+01 -0.215211D+01 -0.113353D+01 -0.507065D+01
      2  -0.132378D+01 -0.215211D+01  0.298130D+00 -0.942952D+00 -0.134097D+01
      3  -0.289865D+01 -0.113353D+01 -0.942952D+00 -0.975467D+00 -0.221047D+01
               296           297           298           299           300 
      1  -0.134097D+01 -0.221047D+01 -0.156703D+01 -0.237752D+01 -0.114128D+01
      2  -0.139682D+01 -0.106723D+01 -0.237752D+01 -0.152113D+01 -0.180077D+01
      3  -0.106723D+01 -0.108048D+01 -0.114128D+01 -0.180077D+01 -0.101381D+01
               301           302           303           304           305 
      1  -0.226451D+01 -0.389337D+01 -0.214915D+01 -0.108993D+01 -0.303106D+01
      2  -0.389337D+01 -0.102670D+02 -0.504314D+01 -0.303106D+01 -0.483605D+01
      3  -0.214915D+01 -0.504314D+01 -0.305413D+01 -0.130894D+01 -0.272385D+01
               306           307           308           309           310 
      1  -0.130894D+01 -0.943973D+01  0.618801D+01  0.312903D+00  0.676853D+01
      2  -0.272385D+01  0.618801D+01 -0.326528D+01 -0.704757D-01 -0.541089D+01
      3  -0.215644D+01  0.312903D+00 -0.704757D-01 -0.562431D+00 -0.651805D+00
               311           312           313           314           315 
      1  -0.541089D+01 -0.651805D+00  0.645657D+00 -0.994889D+00 -0.464426D+00
      2   0.585894D+01  0.645106D+00 -0.994889D+00  0.114083D+01 -0.199058D+00
      3   0.645106D+00  0.389049D+00 -0.464426D+00 -0.199058D+00  0.257567D+00
               316           317           318           319           320 
      1  -0.162068D+02 -0.790989D+00 -0.345359D+01 -0.212277D+01 -0.144915D+01
      2  -0.790989D+00  0.778065D-01 -0.217486D+00 -0.144915D+01 -0.158935D+01
      3  -0.345359D+01 -0.217486D+00 -0.139004D+01 -0.923917D+00 -0.432449D+00
               321           322           323           324           325 
      1  -0.923917D+00 -0.442794D+01 -0.440449D+00 -0.111858D+01 -0.670885D+01
      2  -0.432449D+00 -0.440449D+00  0.760825D+00  0.331042D+00  0.509218D+01
      3  -0.297592D+00 -0.111858D+01  0.331042D+00 -0.633875D+00  0.156636D+01
               326           327           328           329           330 
      1   0.509218D+01  0.156636D+01  0.353742D+01 -0.563975D+01 -0.152360D+01
      2  -0.591336D+01 -0.137671D+01 -0.563975D+01  0.675354D+01  0.172181D+01
      3  -0.137671D+01 -0.824690D+00 -0.152360D+01  0.172181D+01  0.106134D+01
               331           332           333           334           335 
      1   0.117580D+01 -0.195435D+01 -0.997706D-01  0.110099D+01  0.193999D+01
      2  -0.195435D+01  0.106382D+01  0.111194D+01  0.193999D+01  0.261072D+01
      3  -0.997706D-01  0.111194D+01  0.150606D+00  0.190835D+00  0.436799D+00
               336           337           338           339           340 
      1   0.190835D+00  0.311110D+00  0.284539D+00  0.203545D+00 -0.540341D+00
      2   0.436799D+00  0.284539D+00  0.145614D+02  0.402092D+01 -0.231725D+00
      3   0.239298D+00  0.203545D+00  0.402092D+01  0.167600D+01 -0.169149D+00
               341           342           343           344           345 
      1  -0.231725D+00 -0.169149D+00  0.152654D+01  0.197025D+01  0.378458D+00
      2   0.492583D+01  0.127160D+01  0.197025D+01  0.284087D+01  0.599279D+00
      3   0.127160D+01  0.887763D+00  0.378458D+00  0.599279D+00  0.407818D+00
               346           347           348           349           350 
      1   0.132193D+01  0.367615D+01  0.118602D+01  0.761684D+00  0.101429D+01
      2   0.367615D+01  0.119308D+02  0.312818D+01  0.101429D+01  0.394530D+01
      3   0.118602D+01  0.312818D+01  0.144844D+01  0.237584D+00  0.147692D+01
               351           352           353           354           355 
      1   0.237584D+00  0.106423D+02  0.527622D+01 -0.494357D+00  0.351240D+01
      2   0.147692D+01  0.527622D+01  0.322449D+01 -0.204285D+00  0.270301D+01
      3   0.759662D+00 -0.494357D+00 -0.204285D+00  0.688235D+00  0.341510D+00
               356           357           358           359           360 
      1   0.270301D+01  0.341510D+00  0.163176D+00  0.469239D+00  0.101716D+00
      2   0.234956D+01  0.186669D+00  0.469239D+00  0.796904D+00  0.169146D+00
      3   0.186669D+00  0.262335D+00  0.101716D+00  0.169146D+00  0.346986D+00
               361           362           363           364           365 
      1   0.104027D+02 -0.273171D+01 -0.190452D+01  0.293202D+01  0.617466D+01
      2  -0.273171D+01  0.833541D+00  0.391825D+00  0.617466D+01 -0.240156D+01
      3  -0.190452D+01  0.391825D+00  0.174534D+01 -0.703244D+00 -0.250211D+01
               366           367           368           369           370 
      1  -0.703244D+00  0.621999D+00  0.124343D+01  0.568663D+01 -0.148564D+01
      2  -0.250211D+01  0.124343D+01 -0.490508D+00 -0.134997D+01 -0.814471D+00
      3  -0.915297D+00  0.568663D+01 -0.134997D+01 -0.700720D+01  0.278412D+00
               371           372           373           374           375 
      1  -0.814471D+00  0.278412D+00 -0.862690D+00 -0.591145D+00  0.476701D+00
      2  -0.168330D+01  0.394491D+00 -0.591145D+00 -0.258347D+01 -0.104262D+00
      3   0.394491D+00 -0.308930D+00  0.476701D+00 -0.104262D+00 -0.102084D+01
               376           377           378 
      1  -0.167253D+00 -0.380241D+00  0.134619D+00
      2  -0.380241D+00 -0.930824D+00 -0.408495D+00
      3   0.134619D+00 -0.408495D+00 -0.784435D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.709757D+01 -0.110918D+02  0.200003D+01 -0.653701D+01  0.133025D+02
      2   0.628578D+01 -0.781705D+01  0.304431D+01 -0.420621D+01  0.774393D+01
      3  -0.515725D+01  0.520684D+00  0.113378D+01  0.808722D+01 -0.710044D+01
                 6             7             8             9            10 
      1  -0.208966D+01  0.789173D-01  0.252998D+01  0.417717D+01 -0.173546D+02
      2  -0.616950D+00  0.613239D+00  0.364247D+00  0.262166D+01  0.722444D+01
      3   0.263023D+01 -0.313425D+01 -0.492889D+01 -0.401127D+01  0.352454D+02
                11            12            13            14            15 
      1   0.142112D+02 -0.405947D+02 -0.115278D+02  0.193786D+02 -0.147135D+02
      2   0.990378D+01 -0.814189D+01  0.343262D+01  0.722958D+01  0.417696D+01
      3  -0.310541D+02  0.530250D+02  0.279817D+02 -0.363299D+02  0.171033D+02
                16            17            18            19            20 
      1  -0.197689D+02 -0.456370D+01 -0.574833D+01  0.164133D+02 -0.567080D+01
      2  -0.116872D+02  0.111128D+02  0.963037D+00  0.255646D+01 -0.882674D+01
      3   0.314749D+02 -0.246271D+02  0.319529D+02 -0.306054D+02  0.274169D+02
                21            22            23            24            25 
      1   0.216348D+02  0.168723D+02  0.118141D+02  0.288374D+01  0.125219D+02
      2   0.786602D+01 -0.265779D+01 -0.289371D+01 -0.598861D+01 -0.498190D+01
      3  -0.382081D+02 -0.204309D+02 -0.366694D+02 -0.101718D+02 -0.330080D+02
                26            27            28            29            30 
      1  -0.629479D+01  0.302698D+02  0.308032D+01 -0.233201D+01  0.275255D+01
      2   0.331808D+01  0.106382D+02  0.314746D+00 -0.207290D+01  0.493894D-01
      3   0.280335D+02 -0.498204D+02 -0.438068D+01  0.374520D+01 -0.582493D+01
                31            32            33            34            35 
      1   0.435343D+01  0.131138D+02  0.176654D+02  0.770174D+01  0.161484D+02
      2   0.381832D-02  0.164029D+01  0.765238D+01 -0.340934D+01  0.238356D+01
      3  -0.210929D+01 -0.805885D+01 -0.162654D+02 -0.337407D+01 -0.122427D+02
                36            37            38            39            40 
      1   0.193655D+02  0.211040D+02  0.797405D+01  0.955394D+01  0.124469D+02
      2   0.229689D+01 -0.717725D+01  0.870595D+00 -0.446117D+00 -0.122270D+02
      3  -0.128111D+02 -0.388989D+02 -0.121910D+02 -0.213367D+02 -0.377844D+02
                41            42            43            44            45 
      1  -0.180517D+02  0.781472D+01  0.146172D+02 -0.987563D+01  0.362866D+02
      2  -0.526167D+01 -0.182089D+01  0.204159D+01 -0.921550D+01  0.150113D+02
      3   0.391328D+02 -0.203653D+02 -0.350635D+02  0.573980D+02 -0.378597D+02
                46            47            48            49            50 
      1   0.994491D+01  0.491653D+00  0.903101D+01  0.250537D+01  0.564837D+00
      2  -0.975332D+01  0.629033D+00 -0.148073D+01  0.425386D+01 -0.184608D+01
      3  -0.189387D+02  0.448254D+00 -0.143854D+02  0.625455D+00 -0.671756D+00
                51            52            53            54            55 
      1   0.454008D+01  0.116457D+02  0.181189D+01  0.107272D+02 -0.241169D+02
      2   0.354793D+01 -0.804401D+01  0.100843D+01 -0.289039D+01 -0.113364D+02
      3  -0.295269D+01 -0.183954D+02 -0.266391D+01 -0.162603D+02  0.159221D+02
                56            57            58            59            60 
      1   0.238330D+02 -0.188718D+02 -0.270707D+02  0.102325D+02 -0.281164D+02
      2   0.203120D+02  0.295682D+01  0.578798D+00  0.137609D+02 -0.184026D+01
      3  -0.390035D+02  0.195372D+02  0.373453D+02 -0.281812D+02  0.357158D+02
                61            62            63            64            65 
      1  -0.331275D+02  0.381342D+02 -0.346836D+02 -0.550644D+01  0.512262D+01
      2  -0.403169D+01  0.142136D+02 -0.206268D+02 -0.821027D+01  0.613862D+01
      3   0.737723D+02 -0.748111D+02  0.532956D+02 -0.101365D+02  0.369102D+01
                66            67            68            69            70 
      1   0.241567D+00  0.750436D+01 -0.879936D+01 -0.246120D+01  0.783630D+00
      2   0.131814D+00  0.937979D+01 -0.940215D+01 -0.178770D+01 -0.131313D+01
      3  -0.256484D+00  0.876216D+01 -0.462649D+01  0.459388D+00 -0.371273D+00
                71            72            73            74            75 
      1  -0.238936D+01 -0.162558D+01  0.536792D+02 -0.352867D+02  0.572480D+02
      2  -0.627722D+00 -0.139956D+01  0.193674D+02 -0.125012D+02  0.202797D+02
      3   0.263852D+01  0.739901D+00 -0.105353D+03  0.864541D+02 -0.994024D+02
                76            77            78            79            80 
      1  -0.903625D+02 -0.223404D+02 -0.111094D+03 -0.417841D+01 -0.240293D+02
      2  -0.741511D+01 -0.284056D+02 -0.141368D+02 -0.718809D+01 -0.171374D+02
      3   0.163675D+03 -0.355518D+02  0.204672D+03  0.298781D+02  0.345376D+02
                81            82            83            84            85 
      1  -0.176282D+02  0.586543D+02 -0.227633D+02  0.632950D+02  0.213464D+02
      2  -0.143608D+02  0.279872D+02 -0.911339D+01  0.208640D+02  0.989925D+01
      3   0.436454D+02 -0.186375D+03  0.186560D+03 -0.119464D+03 -0.677774D+02
                86            87            88            89            90 
      1   0.231016D+02  0.293228D+02  0.735093D+02 -0.219190D+02  0.859669D+02
      2   0.183955D+02  0.115920D+02  0.156798D+01  0.522289D+01  0.954998D+01
      3   0.767912D+01 -0.766079D+02 -0.119434D+03  0.117460D+03 -0.156513D+03
                91            92            93            94            95 
      1  -0.571135D+02 -0.102743D+02 -0.653252D+02  0.365580D+02  0.177386D+01
      2   0.234457D+02 -0.228633D+02  0.146703D+02  0.749158D+00  0.611090D+01
      3   0.112078D+03 -0.552464D+02  0.113349D+03 -0.812115D+02  0.259350D+02
                96            97            98            99           100 
      1   0.451049D+02 -0.157287D+00 -0.135928D+02 -0.357332D+01  0.168304D+02
      2  -0.402953D+01  0.303459D+01 -0.995172D+01 -0.643355D+01 -0.539852D+01
      3  -0.952774D+02  0.963913D+00  0.409289D+02  0.529545D+01 -0.369732D+02
               101           102           103           104           105 
      1   0.122010D+02  0.234534D+02  0.766906D+02 -0.514804D+02  0.420404D+02
      2   0.154215D+02  0.172421D+01  0.166009D+02 -0.427788D+01  0.540770D+01
      3  -0.572601D+02 -0.464862D+02 -0.203862D+03  0.285439D+03 -0.105389D+03
               106           107           108           109           110 
      1   0.424148D+02 -0.755386D+01  0.341639D+02 -0.239522D+02 -0.285596D+02
      2  -0.155217D+02 -0.101227D+01 -0.149557D+02  0.258890D+01 -0.270454D+02
      3  -0.921780D+02  0.171338D+03 -0.741446D+02  0.705553D+02  0.639344D+02
               111           112           113           114           115 
      1  -0.268782D+02 -0.113579D+03  0.972737D+02 -0.707129D+02 -0.546973D+02
      2  -0.670800D+01 -0.266164D+02  0.369633D+02 -0.139191D+02 -0.310629D+02
      3   0.680248D+02  0.277046D+03 -0.461243D+03  0.179706D+03  0.132042D+03
               116           117           118           119           120 
      1   0.401983D+02 -0.442338D+02 -0.793689D+02  0.760940D+02 -0.584468D+02
      2   0.185217D+02 -0.138409D+02 -0.202138D+02  0.262061D+02 -0.115352D+02
      3  -0.156926D+03  0.940775D+02  0.230145D+03 -0.346423D+03  0.151890D+03
               121           122           123           124           125 
      1   0.346613D+02 -0.477145D+02  0.195984D+02 -0.428849D+02  0.302738D+02
      2   0.161334D+02 -0.262094D+02  0.855679D+01 -0.227209D+02  0.207751D+02
      3  -0.680845D+02  0.188089D+03 -0.470855D+02  0.886390D+02 -0.146283D+03
               126           127           128           129           130 
      1  -0.602753D+02  0.593296D+02 -0.969621D+02  0.249722D+02 -0.351308D+01
      2  -0.152781D+02  0.119801D+02 -0.487640D+02  0.806408D+01 -0.159791D+02
      3   0.743833D+02 -0.678960D+02  0.473690D+03 -0.522277D+02  0.107789D+03
               131           132           133           134           135 
      1  -0.217991D+02  0.244076D+01  0.790192D+01 -0.115851D+02 -0.557806D+01
      2  -0.209420D+02 -0.163386D+01 -0.196978D+02 -0.196444D+02 -0.605697D+01
      3   0.928103D+02  0.194088D+02  0.429887D+02  0.177122D+03 -0.236259D+01
               136           137           138           139           140 
      1  -0.647659D+02  0.127135D+03 -0.321156D+02  0.997414D+01  0.195932D+02
      2  -0.130853D+02  0.898450D+02 -0.135476D+02  0.273228D+02  0.249103D+02
      3   0.727705D+02 -0.624972D+03  0.838795D+02 -0.970578D+02 -0.125291D+03
               141           142           143           144           145 
      1  -0.408309D+00 -0.146025D+02  0.734425D+02 -0.649095D+01 -0.218755D+02
      2   0.560270D+01  0.175917D+01  0.384309D+02 -0.997325D+00 -0.108121D+02
      3  -0.158781D+02 -0.196351D+02 -0.212167D+03  0.148072D+02  0.542070D+02
               146           147           148           149           150 
      1   0.791421D+01 -0.225439D+02  0.396721D+02 -0.850389D+02  0.383923D+02
      2   0.152623D+02  0.489338D+01 -0.123476D+02 -0.621553D+02 -0.250765D+01
      3  -0.117252D+03  0.328857D+02  0.785608D+00  0.348738D+03 -0.559689D+02
               151           152           153           154           155 
      1  -0.148153D+02  0.113924D+02 -0.112395D+02  0.616962D+02 -0.268172D+02
      2   0.104038D+02 -0.896982D+01  0.107632D+02  0.215311D+02 -0.269222D+02
      3   0.903764D+01  0.597114D+02  0.109967D+02 -0.129769D+03  0.174534D+03
               156           157           158           159           160 
      1   0.522136D+02 -0.266168D+02  0.418956D+02 -0.288674D+02  0.729585D+01
      2   0.912118D+01 -0.220087D+00  0.179471D+02  0.147679D+01 -0.616250D+01
      3  -0.104495D+03  0.334663D+02 -0.195636D+03  0.491237D+02 -0.546270D+02
               161           162           163           164           165 
      1  -0.821658D+01  0.100975D+02 -0.110043D+02 -0.597369D+02  0.452191D+01
      2   0.338230D+02  0.106603D+02 -0.138582D+02 -0.215356D+02  0.322248D+00
      3   0.209593D+02 -0.655118D+02  0.160468D+03  0.232033D+03 -0.106482D+02
               166           167           168           169           170 
      1  -0.542763D+01  0.497485D+02 -0.195614D+01 -0.103792D+02  0.458029D+02
      2   0.246393D+02  0.318254D+02  0.213959D+01 -0.197913D+02  0.160100D+02
      3  -0.158327D+03 -0.292751D+03 -0.114356D+02 -0.621174D+01 -0.114690D+03
               171           172           173           174           175 
      1  -0.874383D+01  0.292791D+02  0.658276D+02 -0.131532D+01  0.528977D+01
      2   0.185607D+01  0.497837D+02  0.375580D+02 -0.168545D+01 -0.175134D+02
      3   0.431365D+01 -0.267132D+03 -0.293152D+03  0.196916D+02  0.199756D+03
               176           177           178           179           180 
      1  -0.911995D+02  0.119358D+02  0.158952D+02 -0.249618D+01  0.294807D+01
      2  -0.711382D+02  0.195720D+01 -0.129167D+02 -0.327768D+02 -0.524250D+01
      3   0.514419D+03 -0.152584D+02  0.144596D+02  0.130952D+03 -0.308474D+01
               181           182           183           184           185 
      1  -0.246543D+02 -0.388534D+02  0.259182D+01  0.357033D+01 -0.634651D+02
      2  -0.318064D+02 -0.145502D+02  0.478346D+01 -0.199731D+02 -0.292416D+02
      3   0.156192D+03  0.143395D+03 -0.206068D+02  0.847276D+02  0.282359D+03
               186           187           188           189           190 
      1   0.392105D+01  0.187274D+02 -0.102497D+02 -0.155889D+01  0.126121D+02
      2  -0.578783D+01 -0.940414D+00 -0.488720D+02 -0.721958D+01  0.634945D+01
      3  -0.406825D+02  0.312186D+02  0.827903D+02  0.102247D+02 -0.623774D+02
               191           192           193           194           195 
      1  -0.115237D+02  0.499845D+01 -0.377965D+02  0.770976D+02 -0.147812D+02
      2  -0.717555D+01  0.106390D+02 -0.145816D+02  0.561358D+02 -0.451024D+01
      3   0.344288D+02 -0.162623D+02  0.130833D+01 -0.397163D+03  0.671727D+02
               196           197           198           199           200 
      1  -0.106252D+01  0.460027D+02  0.389068D+01  0.215589D+01  0.214906D+02
      2   0.203015D+02  0.265749D+02  0.101532D+02 -0.883275D+01 -0.333904D+01
      3  -0.688612D+01 -0.704364D+02 -0.787048D+01 -0.425227D+02 -0.600678D+02
               201           202           203           204           205 
      1   0.126773D+01  0.107726D+02  0.266108D+02 -0.495800D+01 -0.605407D-01
      2  -0.146127D+01  0.219811D+02  0.441337D+01 -0.391001D+01 -0.572994D+01
      3  -0.840271D-02 -0.241295D+03 -0.970294D+02  0.617397D+02 -0.106429D+03
               206           207           208           209           210 
      1   0.272659D+02  0.248774D+01  0.264292D+01  0.621354D+02  0.735062D+01
      2  -0.165879D+01  0.410795D+01  0.316683D+02  0.495279D+02  0.163683D+01
      3  -0.813843D+02  0.256987D+02 -0.253056D+03 -0.345017D+03  0.412123D+02
               211           212           213           214           215 
      1  -0.120580D+02  0.551357D+02 -0.796747D+01  0.316354D+02  0.223787D+02
      2   0.171621D+02  0.589527D+02 -0.284609D+01  0.909248D+00 -0.268695D+01
      3  -0.143635D+03 -0.360930D+03  0.239631D+02 -0.346413D+02 -0.797476D+02
               216           217           218           219           220 
      1  -0.827629D+01 -0.465745D+01 -0.625970D+02 -0.142958D+01  0.785589D+01
      2  -0.127414D+01 -0.465281D+02 -0.324277D+02  0.673878D+01  0.114110D+02
      3  -0.179427D+02  0.364921D+03  0.275909D+03 -0.801775D+02 -0.404916D+02
               221           222           223           224           225 
      1   0.481643D+01 -0.817496D+01 -0.120207D+02 -0.242006D+02 -0.121199D+02
      2  -0.105842D+02 -0.431576D+01 -0.222315D+02 -0.198267D+02 -0.806059D+01
      3   0.738801D+02  0.154533D+02 -0.352150D+02  0.150977D+02  0.494602D+02
               226           227           228           229           230 
      1   0.806406D+00 -0.708373D+01 -0.120259D+01  0.141081D+00 -0.434454D+02
      2  -0.103179D+01 -0.230460D+02 -0.341793D+01 -0.406656D+02 -0.990035D+01
      3  -0.671405D+02  0.103579D+03  0.243815D+02  0.375918D+03  0.154597D+03
               231           232           233           234           235 
      1   0.974429D+01 -0.620797D+01 -0.491458D+01 -0.218179D+01 -0.103116D+01
      2   0.120662D+02 -0.366441D+02 -0.996976D+01  0.878301D+01  0.109622D+02
      3  -0.103921D+03  0.124423D+03  0.426769D+02 -0.339290D+02 -0.600530D+02
               236           237           238           239           240 
      1   0.119713D+02 -0.518749D-04 -0.763967D+00  0.636929D+00 -0.399295D+01
      2   0.264528D+02 -0.408978D+01  0.249026D+00 -0.558331D+01  0.242151D+01
      3  -0.133379D+03  0.133368D+02  0.405830D+02  0.193718D+02 -0.616074D+01
               241           242           243           244           245 
      1  -0.117921D+02 -0.114944D+02 -0.843674D+01 -0.218182D+01 -0.142912D+02
      2  -0.219852D+02  0.336280D+00  0.121047D+02 -0.861763D+01 -0.137215D+02
      3   0.373972D+02  0.474451D+02 -0.263139D+01  0.923242D+02  0.746772D+02
               246           247           248           249           250 
      1  -0.886996D+01  0.170092D+02  0.411210D+01 -0.203479D+01 -0.142264D+02
      2   0.100998D+02  0.367120D+00  0.221983D+01 -0.501796D+01  0.745405D+01
      3  -0.145365D+02  0.119363D+02 -0.461997D+02 -0.951490D+01 -0.230546D+01
               251           252           253           254           255 
      1   0.395585D+01  0.890177D+01  0.628500D+01  0.570351D+01 -0.615458D+01
      2   0.142540D+02 -0.731538D+01 -0.319442D+02 -0.919372D+01  0.424297D+01
      3  -0.389195D+02  0.224573D+02  0.190941D+03  0.653353D+02 -0.663094D+02
               256           257           258           259           260 
      1   0.570722D+01 -0.964160D+01 -0.504447D+01 -0.113281D+02  0.773778D+01
      2  -0.506930D+01 -0.148851D+01  0.102422D+02 -0.120128D+02 -0.365876D+01
      3  -0.365855D+01  0.241078D+02 -0.158119D+02 -0.354214D+02 -0.203114D+02
               261           262           263           264           265 
      1   0.996820D+01 -0.723623D+01  0.127822D+01  0.484992D+01 -0.552801D+01
      2   0.826376D+01  0.179809D+02  0.134401D+02 -0.150542D+01  0.592105D+01
      3   0.172529D+02 -0.181603D+03 -0.579383D+02  0.594250D+02 -0.852450D+01
               266           267           268           269           270 
      1  -0.367411D+01 -0.415412D+00  0.400044D+01  0.788390D+01  0.369219D+01
      2   0.183819D+01 -0.547080D+01 -0.112117D+02 -0.549738D+01 -0.331804D+01
      3   0.178780D+02  0.140095D+02 -0.471748D+01 -0.949417D+01  0.124965D+02
               271           272           273           274           275 
      1   0.215563D+01 -0.269297D+01  0.540809D+01  0.333996D+01 -0.385923D+01
      2   0.125113D+01 -0.143640D+01  0.279232D+01 -0.535983D+00  0.162027D+01
      3  -0.183564D+02  0.200361D+02 -0.226573D+01  0.172510D+02 -0.244245D+02
               276           277           278           279           280 
      1  -0.195938D+01  0.282500D+01  0.125687D+00  0.164248D+00 -0.497547D+01
      2  -0.926210D+00  0.134229D+01 -0.287263D-01  0.504605D+00 -0.151580D+01
      3  -0.625425D+01 -0.102373D+02  0.323956D+01 -0.666053D+01  0.556171D+01
               281           282           283           284           285 
      1  -0.965017D+00 -0.675520D+01 -0.557835D+00 -0.127227D+02 -0.122543D+02
      2   0.436661D+00 -0.534817D+00 -0.107765D+01  0.161235D+01  0.205339D+01
      3  -0.432801D+01  0.686723D+01 -0.259975D+00 -0.310543D+01 -0.397019D+01
               286           287           288           289           290 
      1  -0.128152D+01 -0.933243D+01 -0.584539D+01 -0.900149D+01 -0.592576D+00
      2  -0.173583D+01  0.292306D+00  0.130475D+01  0.215027D+01  0.593835D+00
      3   0.716559D+01  0.209896D+01 -0.408281D+00  0.119188D+02  0.129907D+01
               291           292           293           294           295 
      1  -0.570732D+01 -0.173314D-01 -0.253157D+01 -0.153634D+01 -0.170447D+01
      2   0.723910D+01  0.395734D+01 -0.155056D+01  0.304269D+01 -0.174461D+01
      3   0.556638D+01 -0.618529D+01  0.116649D+02 -0.160063D+01  0.610410D+01
               296           297           298           299           300 
      1  -0.120287D+01 -0.261168D+00  0.239960D+00 -0.392577D+01 -0.863791D+00
      2   0.137727D+01  0.210824D+01  0.293951D+01  0.178090D+01  0.366261D+01
      3  -0.312825D+01 -0.121228D+01 -0.629301D+01  0.426042D+01 -0.576335D+01
               301           302           303           304           305 
      1  -0.138854D+01 -0.302679D-01 -0.500795D+01  0.162427D+01  0.163870D+01
      2   0.220511D+01  0.135474D+02  0.824901D+01  0.230351D+01  0.203330D+01
      3  -0.328914D+01 -0.298605D+02 -0.133008D+02 -0.758614D+01 -0.775554D+01
               306           307           308           309           310 
      1  -0.296026D+01 -0.383886D+01  0.380030D+00  0.273749D+01  0.408611D+01
      2   0.474791D+01 -0.398016D+01 -0.356717D+00  0.440106D+01  0.424545D+01
      3  -0.557758D+01  0.143161D+02 -0.437461D+01  0.279033D-02 -0.110471D+02
               311           312           313           314           315 
      1  -0.541261D+01 -0.334141D+01 -0.425920D+00  0.111533D+01 -0.382415D+00
      2  -0.732847D+01 -0.400672D+01 -0.639843D+00  0.294765D+01 -0.647409D+00
      3   0.241882D+02  0.302530D+01 -0.291288D+01  0.545819D+01 -0.321510D+01
               316           317           318           319           320 
      1   0.128090D+01  0.134623D+00  0.306549D+00  0.852634D+00  0.361706D+01
      2   0.802414D+01 -0.201279D+00  0.850047D+01  0.427401D+01  0.462235D+01
      3  -0.171772D+02 -0.832425D+00 -0.496442D+01 -0.799504D+01 -0.149237D+02
               321           322           323           324           325 
      1  -0.176580D+00 -0.204815D+00 -0.765924D+00 -0.782496D+00 -0.202203D+01
      2   0.218698D+01 -0.606376D+00 -0.228231D+01  0.162894D+01  0.244862D+01
      3  -0.317227D+01 -0.598714D+01  0.132165D+01  0.211981D+01 -0.162282D+02
               326           327           328           329           330 
      1   0.303359D+01  0.377569D+01  0.444754D+01 -0.116548D+01 -0.492442D+01
      2   0.419585D+00  0.316120D+01  0.194259D+01  0.244287D+00 -0.312032D+01
      3  -0.203339D+01  0.209232D+01 -0.189085D+01 -0.490258D+01 -0.134292D+01
               331           332           333           334           335 
      1  -0.331880D+01 -0.134223D+01 -0.941436D+00 -0.123689D+01 -0.167072D+01
      2  -0.144249D+01  0.149099D+00 -0.121898D+01 -0.286981D+01 -0.290136D+01
      3  -0.160958D+01 -0.783500D+01  0.509883D+01  0.145199D+02  0.150089D+02
               336           337           338           339           340 
      1  -0.107463D+01 -0.123759D+01 -0.945138D+01 -0.853520D+01  0.301513D+01
      2   0.255858D+00 -0.153778D+01 -0.806322D+01 -0.251135D+01  0.151469D+01
      3   0.442224D+00  0.442331D+01  0.298216D+02  0.102159D+02 -0.475466D+01
               341           342           343           344           345 
      1   0.320542D+01 -0.271784D+01 -0.121396D+01 -0.106277D+01 -0.173880D+01
      2  -0.274015D+00 -0.257204D+00  0.958696D+00  0.947402D-01  0.679552D+00
      3   0.539874D+01  0.106028D+00  0.788230D+00  0.169639D+01  0.197019D+01
               346           347           348           349           350 
      1  -0.311721D+01 -0.812900D+01 -0.816110D+01 -0.594955D+00 -0.173516D+01
      2   0.279558D+00  0.385751D+01  0.258347D+01 -0.411870D+00  0.410582D+00
      3   0.335401D+01 -0.215155D+00  0.923321D+00  0.337676D+01 -0.267745D+01
               351           352           353           354           355 
      1  -0.282119D+01 -0.776248D+00 -0.583972D+00 -0.279353D+01 -0.286165D+01
      2   0.445629D+00 -0.153652D+01 -0.539605D+00  0.454338D+01  0.260117D+01
      3  -0.465447D-01  0.326689D+02  0.100505D+02 -0.227390D+01  0.679570D+01
               356           357           358           359           360 
      1  -0.135926D+01 -0.109585D+01  0.140075D+01  0.129605D+00 -0.834300D+00
      2   0.134423D+01  0.119332D+01 -0.142179D+01 -0.128286D+01  0.839536D+00
      3   0.253580D+01  0.262295D+01 -0.466691D+01  0.108051D+01 -0.186489D+00
               361           362           363           364           365 
      1   0.267324D+01 -0.552595D+01 -0.880590D+00 -0.515600D+00  0.103817D+02
      2   0.813967D+01  0.486160D+01  0.135961D+02 -0.360994D+01 -0.598720D+01
      3  -0.111230D+01 -0.408780D+02  0.415548D+01  0.210671D+02  0.437972D+02
               366           367           368           369           370 
      1  -0.598138D+01 -0.958487D+01  0.133033D+02  0.852458D+01 -0.765748D-01
      2  -0.564430D+01 -0.196790D+01 -0.809655D+01 -0.122383D+02 -0.234774D+01
      3  -0.360191D+01  0.183729D+02  0.205401D+02  0.203554D+02  0.136462D+01
               371           372           373           374           375 
      1   0.393256D+01 -0.641722D+00 -0.265075D+00  0.606597D+01 -0.984650D+00
      2  -0.236044D+01 -0.633073D-01 -0.335589D+01 -0.467622D+01  0.200108D+00
      3   0.851360D+00  0.200857D+01  0.935140D+01  0.150475D+02 -0.860743D+00
               376           377           378 
      1   0.145838D+01  0.512546D+01 -0.666152D+00
      2  -0.110981D+01 -0.716563D+00 -0.815830D+00
      3  -0.251174D+01  0.280054D+01  0.328171D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.214628D+01 -0.321448D+01  0.222568D+01  0.185798D+01 -0.706275D+00
      2  -0.211685D+01  0.224540D+01  0.299757D+01  0.183232D+01 -0.155151D+01
      3  -0.294319D-01  0.969085D+00 -0.522325D+01 -0.369030D+01  0.225778D+01
      4   0.286616D+00 -0.951825D+00  0.710066D+00  0.299158D+00 -0.369647D+00
      5  -0.715482D+01  0.723258D+01  0.315660D+01  0.659129D+01 -0.826517D+01
      6   0.341089D+01 -0.486393D+01 -0.944293D+00 -0.264441D+01  0.610967D+01
                 6             7             8             9            10 
      1  -0.331718D+01  0.189235D+01 -0.375371D+01 -0.442480D+00 -0.831806D+01
      2  -0.450013D+01  0.852215D+00 -0.134202D+01 -0.242406D+01  0.129386D+02
      3   0.781731D+01 -0.274456D+01  0.509573D+01  0.286654D+01 -0.462054D+01
      4   0.806510D+00  0.151817D+01  0.636463D+00 -0.116551D+00  0.178467D+02
      5  -0.485597D+01  0.246510D+01 -0.702924D+00 -0.433255D+01 -0.271616D+02
      6   0.361564D+01 -0.812390D+00  0.259333D+01  0.389251D+01  0.106657D+02
                11            12            13            14            15 
      1   0.586875D+01  0.174858D+02 -0.921329D+01  0.323863D+00 -0.765359D+01
      2   0.499838D+01  0.379951D+02  0.151985D+02  0.157138D+00  0.144498D+02
      3  -0.108671D+02 -0.554809D+02 -0.598520D+01 -0.481001D+00 -0.679620D+01
      4   0.151569D+01  0.474581D+01  0.551603D+01  0.156984D+02  0.648200D+01
      5   0.750825D+01  0.443770D+01 -0.158286D+02  0.365890D+01 -0.252161D+01
      6  -0.570912D+01  0.168385D+02  0.129789D+02  0.447443D+01  0.139548D+02
                16            17            18            19            20 
      1  -0.564288D+01 -0.289843D+01  0.369097D+00  0.159869D+02 -0.102450D+02
      2   0.307896D+02 -0.188573D+01  0.288359D+02 -0.116547D+02  0.188734D+01
      3  -0.251468D+02  0.478416D+01 -0.292050D+02 -0.433213D+01  0.835770D+01
      4   0.886546D+01 -0.131789D+01  0.229696D+02 -0.209324D+02  0.803993D+01
      5  -0.136702D+02  0.217231D+02 -0.281009D+02  0.215819D+02 -0.245185D+02
      6   0.226566D+02 -0.128274D+02  0.209401D+02 -0.167335D+02  0.147833D+02
                21            22            23            24            25 
      1   0.163044D+02 -0.140738D+01  0.163486D+02  0.103382D+02  0.149719D+01
      2   0.584561D+01 -0.218943D+02 -0.681946D+01 -0.131514D+02 -0.209182D+02
      3  -0.221500D+02  0.233017D+02 -0.952918D+01  0.281326D+01  0.194210D+02
      4  -0.153881D+02  0.906085D+01 -0.424508D+01 -0.248923D+01 -0.156418D+02
      5   0.562721D-01  0.180593D+02  0.118869D+02  0.219324D+02  0.243180D+02
      6   0.270815D+01  0.239540D+01 -0.103180D+02 -0.105579D+02 -0.217624D+02
                26            27            28            29            30 
      1   0.681768D+01 -0.303380D+02 -0.198023D+01  0.824728D+00 -0.375274D+01
      2   0.120132D+02 -0.495357D+02 -0.822685D+01 -0.160132D+01 -0.110512D+02
      3  -0.188309D+02  0.798737D+02  0.102071D+02  0.776587D+00  0.148039D+02
      4  -0.751300D+00 -0.179524D+02  0.593969D+00  0.299334D+01  0.906760D+00
      5  -0.200614D+02  0.111907D+02  0.699370D+01  0.328462D+01  0.134930D+02
      6   0.584763D+01 -0.488511D+02  0.118397D+01  0.207823D+01 -0.188513D+01
                31            32            33            34            35 
      1  -0.437518D+01 -0.124888D+02 -0.247927D+02 -0.556157D+01 -0.115690D+02
      2  -0.665194D+01 -0.119575D+02 -0.282741D+02 -0.115897D+02 -0.145819D+02
      3   0.110271D+02  0.244464D+02  0.530668D+02  0.171512D+02  0.261509D+02
      4   0.443337D+01  0.682053D+01  0.952735D+01  0.416257D+01  0.522242D+01
      5   0.509301D+01  0.604172D+01  0.992639D+01  0.113589D+02  0.886327D+01
      6   0.701329D+01  0.151671D+02  0.213401D+02  0.726859D+01  0.114475D+02
                36            37            38            39            40 
      1  -0.254828D+02  0.166207D+00  0.986904D+01 -0.105702D+02  0.291010D+02
      2  -0.344124D+02 -0.103400D+02 -0.177555D+02 -0.146989D+02 -0.172396D+02
      3   0.598952D+02  0.101738D+02  0.788641D+01  0.252691D+02 -0.118614D+02
      4   0.104275D+02 -0.364877D+01  0.874285D+01  0.288659D+01 -0.347901D+02
      5   0.193974D+02  0.444201D+00  0.120893D+02  0.264994D+01  0.196045D+02
      6   0.226059D+02  0.404587D+01  0.524033D+00  0.292695D+01 -0.233568D+02
                41            42            43            44            45 
      1  -0.128290D+02  0.156304D+02 -0.253368D+02  0.970186D+01 -0.537271D+02
      2   0.134969D+01  0.167734D+02 -0.233747D+00  0.125441D+01 -0.168439D+02
      3   0.114793D+02 -0.324038D+02  0.255706D+02 -0.109563D+02  0.705709D+02
      4   0.133943D+02 -0.174142D+02 -0.358676D+02  0.259035D+02 -0.283254D+02
      5  -0.234440D+02 -0.618856D+01  0.810228D+01 -0.269580D+02  0.176385D+02
      6   0.197246D+02  0.507098D+01 -0.426830D+02  0.448301D+02 -0.568295D+02
                46            47            48            49            50 
      1   0.251749D+02 -0.216588D+01  0.102331D+02 -0.488968D+01  0.151920D+01
      2  -0.478458D+02  0.809101D+01 -0.393868D+02 -0.200390D+01 -0.261161D+01
      3   0.226709D+02 -0.592513D+01  0.291537D+02  0.689358D+01  0.109240D+01
      4  -0.268946D+02  0.990103D+01 -0.208729D+02  0.993358D+01 -0.370648D+01
      5   0.689151D+02 -0.135866D+02  0.581409D+02 -0.240781D+01  0.686574D+01
      6  -0.274711D+02  0.107995D+02 -0.261231D+02  0.723974D+01 -0.353606D+01
                51            52            53            54            55 
      1  -0.496584D+01  0.139002D+02 -0.105837D+01  0.761182D+01  0.225651D+02
      2  -0.713093D+01 -0.390456D+02  0.302515D+01 -0.375198D+02 -0.740305D+01
      3   0.120968D+02  0.251454D+02 -0.196677D+01  0.299080D+02 -0.151620D+02
      4   0.627717D+01 -0.131034D+02  0.423636D+01 -0.116895D+02  0.166376D+02
      5   0.239498D+01  0.511591D+02 -0.590400D+01  0.488695D+02 -0.942088D+00
      6   0.379825D+01 -0.154346D+02  0.509778D+01 -0.147115D+02  0.169102D+02
                56            57            58            59            60 
      1  -0.291645D+00  0.165469D+02  0.871951D+01 -0.220751D+02  0.207678D+02
      2   0.108034D+01 -0.677899D+01  0.275473D+02  0.111721D+01  0.866990D+01
      3  -0.788699D+00 -0.976792D+01 -0.362668D+02  0.209579D+02 -0.294377D+02
      4  -0.173777D+02  0.172545D+02  0.127978D+02 -0.295333D+01  0.303067D+02
      5   0.136745D+02  0.499480D+01 -0.292827D+02  0.235455D+02 -0.252458D+02
      6  -0.230360D+02  0.114805D+02  0.345608D+02 -0.396701D+02  0.476903D+02
                61            62            63            64            65 
      1  -0.103112D+02  0.176356D+02  0.186034D+02  0.123346D+02 -0.433773D+01
      2   0.326218D+02 -0.236189D+02  0.187532D+02  0.126291D+02 -0.177715D+02
      3  -0.223106D+02  0.598335D+01 -0.373566D+02 -0.249636D+02  0.221092D+02
      4   0.405698D+02 -0.231093D+01  0.203382D+02 -0.487714D+02  0.451326D+02
      5  -0.233212D+02  0.205721D+02 -0.131616D+02  0.158559D+02 -0.140907D+02
      6   0.303583D+02 -0.265496D+01  0.201821D+02 -0.213930D+02  0.230209D+02
                66            67            68            69            70 
      1   0.602409D-01 -0.571074D+01 -0.180443D+01  0.122406D+01  0.232980D+01
      2   0.283246D+01 -0.222278D+02  0.328545D+02 -0.495261D+01 -0.418079D+01
      3  -0.289270D+01  0.279386D+02 -0.310501D+02  0.372855D+01  0.185099D+01
      4  -0.107824D+02  0.471282D+02 -0.507650D+02  0.672522D+01 -0.416522D+00
      5   0.732999D+01 -0.993316D+01  0.102733D+02 -0.445101D+01  0.629372D+01
      6  -0.938356D+01  0.189492D+02 -0.237164D+02  0.693614D+01 -0.524566D+01
                71            72            73            74            75 
      1  -0.217779D+01 -0.280413D+00 -0.327240D+02  0.249761D+01 -0.308355D+02
      2   0.762153D+01  0.257440D+01 -0.215432D+02  0.656783D+01 -0.273450D+02
      3  -0.544373D+01 -0.229399D+01  0.542672D+02 -0.906544D+01  0.581805D+02
      4  -0.348698D+01 -0.573281D+01 -0.472847D+02  0.181497D+02 -0.355625D+02
      5  -0.468203D+01  0.217882D+01  0.220454D+02 -0.186453D+02  0.227660D+02
      6   0.353971D+01 -0.268231D+01 -0.398357D+02  0.755978D+01 -0.356306D+02
                76            77            78            79            80 
      1   0.459682D+02 -0.344286D+02  0.344363D+02 -0.239839D+00 -0.440923D+01
      2   0.423114D+02  0.323469D+02  0.828241D+02  0.107806D+02  0.865255D+01
      3  -0.882796D+02  0.208167D+01 -0.117260D+03 -0.105408D+02 -0.424332D+01
      4   0.493622D+02 -0.341156D+02  0.463248D+02 -0.199506D+00 -0.784603D+01
      5  -0.478463D+02  0.594868D+01 -0.472083D+02 -0.675540D+01 -0.536377D+01
      6   0.597652D+02 -0.148846D+02  0.708365D+02  0.444829D+01  0.111471D+02
                81            82            83            84            85 
      1  -0.395397D+01 -0.702556D+02  0.120764D+03 -0.220567D+02 -0.196804D+02
      2   0.341448D+02  0.392494D+01 -0.102664D+03 -0.321717D+02 -0.105820D+02
      3  -0.301908D+02  0.663306D+02 -0.180997D+02  0.542284D+02  0.302624D+02
      4   0.713707D+00 -0.455708D+02  0.252093D+02 -0.237084D+02 -0.257037D+02
      5  -0.200700D+02  0.169380D+02 -0.145416D+01  0.309614D+02  0.134373D+02
      6   0.101588D+02 -0.245456D+02 -0.657098D+01 -0.530299D+02 -0.105321D+02
                86            87            88            89            90 
      1  -0.135736D+02 -0.390648D+00 -0.567606D+02  0.105273D+03 -0.424551D+02
      2   0.197089D+02 -0.459067D+02  0.452295D+01 -0.113733D+03 -0.184134D+02
      3  -0.613527D+01  0.462974D+02  0.522376D+02  0.846082D+01  0.608685D+02
      4   0.333692D+02 -0.705470D+01 -0.179908D+02  0.148612D+02 -0.297721D+02
      5  -0.151849D+01  0.208214D+02  0.321655D+02 -0.655845D+01  0.273229D+02
      6  -0.164757D+02 -0.120072D+02 -0.475766D+02  0.427114D+02 -0.605092D+02
                91            92            93            94            95 
      1   0.679112D+02 -0.258954D+02  0.450367D+02 -0.129759D+02  0.802531D+01
      2   0.271507D+02  0.148786D+02  0.554608D+02 -0.452180D+02 -0.103037D+02
      3  -0.950618D+02  0.110169D+02 -0.100498D+03  0.581939D+02  0.227838D+01
      4   0.669351D+02 -0.310517D+02  0.522837D+02 -0.315202D+02  0.653862D+01
      5  -0.391567D+02  0.713344D+01 -0.347427D+02  0.305903D+02 -0.983521D+01
      6   0.616603D+02 -0.144105D+02  0.680929D+02 -0.453371D+02  0.550603D+01
                96            97            98            99           100 
      1  -0.117922D+02  0.225963D+02 -0.755384D+01  0.203839D+02 -0.272659D+02
      2  -0.616745D+02 -0.932573D+01  0.341615D+01 -0.349769D+01 -0.233748D+02
      3   0.734667D+02 -0.132706D+02  0.413769D+01 -0.168862D+02  0.506407D+02
      4  -0.395225D+02  0.166182D+02 -0.257190D+02  0.110256D+02 -0.388477D+02
      5   0.391731D+02 -0.120330D+01 -0.514195D+01 -0.245342D+01  0.522543D+01
      6  -0.491186D+02  0.809447D+01 -0.445394D+01  0.858905D+01 -0.312038D+02
               101           102           103           104           105 
      1  -0.318590D+02 -0.216750D+02 -0.129808D+03  0.199906D+03 -0.856342D+02
      2   0.220804D+02 -0.281599D+02  0.540184D+02 -0.154330D+03  0.326778D+02
      3   0.977860D+01  0.498349D+02  0.757891D+02 -0.455757D+02  0.529564D+02
      4   0.355499D+02 -0.301108D+02 -0.533069D+02 -0.802764D+01 -0.449924D+02
      5   0.124967D+02  0.160630D+02  0.796785D+01 -0.453975D+02  0.290610D+01
      6   0.604665D+01 -0.305947D+02 -0.593197D+02  0.220181D+02 -0.346280D+02
               106           107           108           109           110 
      1  -0.869163D+02  0.782965D+02 -0.526456D+02 -0.172844D+02  0.588438D+02
      2   0.205075D+02 -0.509571D+02 -0.732210D+01  0.574695D+02 -0.653077D+02
      3   0.664088D+02 -0.273394D+02  0.599677D+02 -0.401851D+02  0.646398D+01
      4  -0.439132D+02  0.101174D+02 -0.361360D+02  0.523118D+02  0.228243D+02
      5   0.893517D+01 -0.191104D+02  0.180720D+01  0.579902D+01  0.114601D+02
      6  -0.450039D+02  0.124201D+02 -0.410887D+02  0.359600D+02 -0.119885D+02
               111           112           113           114           115 
      1   0.257345D+02  0.154880D+03 -0.229081D+03  0.100667D+03  0.608071D+02
      2   0.122663D+02 -0.633247D+02  0.174707D+03 -0.244336D+02 -0.466846D+01
      3  -0.380008D+02 -0.915553D+02  0.543738D+02 -0.762329D+02 -0.561387D+02
      4   0.422111D+02  0.596845D+02 -0.162662D+02  0.416148D+02  0.401158D+02
      5   0.168727D+01 -0.138611D+02  0.524445D+02 -0.782079D+01 -0.565799D+01
      6   0.252650D+02  0.622330D+02 -0.309948D+02  0.414840D+02  0.446399D+02
               116           117           118           119           120 
      1  -0.634590D+02  0.386539D+02  0.117755D+03 -0.195378D+03  0.657313D+02
      2   0.245360D+02  0.372968D+01 -0.518493D+02  0.188074D+03 -0.881327D+01
      3   0.389230D+02 -0.423836D+02 -0.659056D+02  0.730340D+01 -0.569180D+02
      4  -0.159211D+02  0.429214D+02  0.533578D+02 -0.532303D+02  0.190086D+02
      5   0.371139D+02 -0.673815D+01 -0.251584D+02  0.126665D+02 -0.235130D+02
      6  -0.227196D+01  0.402930D+02  0.308141D+02 -0.455163D+02  0.301016D+02
               121           122           123           124           125 
      1  -0.614879D+02  0.948594D+02 -0.253679D+02  0.599290D+02 -0.643689D+02
      2   0.498317D+02 -0.596522D+02  0.116554D+02 -0.398275D+02  0.515765D+02
      3   0.116562D+02 -0.352072D+02  0.137124D+02 -0.201015D+02  0.127924D+02
      4   0.950925D+01  0.265339D+02 -0.331814D+01  0.182059D+02 -0.454380D+02
      5   0.642293D+01 -0.222004D+02  0.638465D+01 -0.342704D+01  0.231804D+01
      6  -0.142705D+02 -0.802694D+01 -0.164874D+02  0.247685D+02 -0.110730D+02
               126           127           128           129           130 
      1   0.175364D+02 -0.131342D+03  0.163078D+03 -0.525314D+02 -0.595821D+01
      2   0.247098D+01  0.798329D+02 -0.640924D+02  0.344966D+02  0.316956D+01
      3  -0.200073D+02  0.515091D+02 -0.989856D+02  0.180348D+02  0.278866D+01
      4   0.100452D+02 -0.118543D+02 -0.142111D+03 -0.214642D+01 -0.708919D+01
      5  -0.221989D+02 -0.161255D+02 -0.120007D+03  0.336121D+01 -0.213131D+02
      6   0.561388D+02 -0.213137D+02  0.104616D+02 -0.846765D+01  0.157133D+02
               131           132           133           134           135 
      1  -0.814872D+02  0.152100D+02 -0.330460D+02  0.210419D+02 -0.136488D+02
      2   0.988641D+02 -0.257840D+02  0.273610D+02  0.133392D+02  0.505903D+01
      3  -0.173769D+02  0.105740D+02  0.568499D+01 -0.343811D+02  0.858978D+01
      4  -0.671876D+02  0.125163D+02  0.642657D+01 -0.594909D+02  0.310978D+01
      5  -0.521886D+02  0.724046D+01 -0.191852D+02 -0.503109D+02 -0.631052D+01
      6  -0.343128D+01 -0.542434D+01 -0.388490D+00  0.288725D+01  0.168057D+01
               136           137           138           139           140 
      1   0.151328D+03 -0.165515D+03  0.564454D+02 -0.303216D+02  0.731949D+02
      2  -0.798410D+02  0.589612D+02 -0.220998D+02  0.241155D+02 -0.107640D+03
      3  -0.714868D+02  0.106554D+03 -0.343456D+02  0.620606D+01  0.344451D+02
      4  -0.753456D+00  0.131910D+03 -0.865199D+01  0.499867D+02  0.778227D+02
      5   0.161665D+02  0.127777D+03 -0.132937D+02  0.223857D+02  0.597843D+02
      6   0.162053D+02 -0.868775D+01  0.112627D+02  0.173520D+02 -0.453232D+01
               141           142           143           144           145 
      1  -0.616222D+01  0.109709D+02 -0.321943D+02  0.243702D+02  0.358136D+02
      2   0.103518D+02 -0.100600D+02 -0.562282D+01 -0.248016D+02  0.988158D+01
      3  -0.418953D+01 -0.910890D+00  0.378171D+02  0.431411D+00 -0.456952D+02
      4   0.153541D+02  0.600883D+01  0.583355D+02  0.102446D+02  0.661662D+02
      5   0.386322D+01  0.370071D+02  0.618427D+02  0.106445D+02 -0.147130D+02
      6   0.622434D+01  0.177656D+02 -0.231668D+01 -0.335895D+00  0.227903D+02
               146           147           148           149           150 
      1  -0.312955D+02  0.721537D+01 -0.159256D+02  0.210137D+02 -0.371050D+02
      2   0.121287D+02  0.303270D+00 -0.146440D+02  0.633774D+02  0.210918D+02
      3   0.191668D+02 -0.751864D+01  0.305696D+02 -0.843911D+02  0.160132D+02
      4   0.638096D+02  0.290847D+02 -0.682008D+02 -0.133724D+03 -0.395207D+02
      5   0.264738D+02  0.132314D+02 -0.414199D+02 -0.109926D+03 -0.226189D+02
      6   0.988230D+01  0.263074D+02 -0.518267D+02  0.110648D+01 -0.337837D+02
               151           152           153           154           155 
      1  -0.251528D+02 -0.196353D+02  0.473896D+01 -0.477635D+02  0.185200D+02
      2  -0.141324D+02  0.300893D+02 -0.240728D+02 -0.188642D+02  0.567105D+02
      3   0.392852D+02 -0.104539D+02  0.193339D+02  0.666277D+02 -0.752306D+02
      4  -0.405777D+02 -0.288788D+02  0.845609D+01 -0.803755D+02 -0.443744D+02
      5   0.238761D+02 -0.236677D+02  0.289343D+02 -0.155706D+02 -0.716020D+02
      6   0.937681D+01  0.542825D+01  0.101783D+02 -0.583245D+02  0.368983D+01
               156           157           158           159           160 
      1  -0.455849D+02  0.659900D+02 -0.104923D+02  0.430572D+02  0.121323D+00
      2   0.942501D+01 -0.217092D+02 -0.952382D+01 -0.316941D+02 -0.289064D+02
      3   0.361598D+02 -0.442808D+02  0.200161D+02 -0.113631D+02  0.287851D+02
      4  -0.629059D+02  0.819186D+02  0.892225D+02  0.151893D+02 -0.283523D+02
      5  -0.209980D+02  0.231741D+02  0.430303D+02  0.156578D+02  0.132722D+02
      6  -0.472614D+02  0.215241D+02 -0.174250D+02  0.150657D+02 -0.130956D+02
               161           162           163           164           165 
      1  -0.121794D+02 -0.275410D+02 -0.975141D+02 -0.744669D+02  0.170235D+01
      2  -0.167424D+02 -0.128245D+02  0.649415D+02  0.961698D+02 -0.391790D+00
      3   0.289218D+02  0.403654D+02  0.325725D+02 -0.217029D+02 -0.131056D+01
      4  -0.248348D+02 -0.740195D+00  0.733707D+02 -0.205244D+01 -0.145848D+02
      5   0.166548D+02  0.195464D+02 -0.563949D+02 -0.734396D+02  0.307523D+01
      6   0.263877D+02  0.371584D+01 -0.751173D+01  0.320106D+02 -0.150604D+00
               166           167           168           169           170 
      1   0.695437D+02  0.617831D+02 -0.165737D+01  0.265124D+02  0.109391D+02
      2  -0.476550D+02 -0.125531D+03  0.979714D+01 -0.191626D+02 -0.276984D+02
      3  -0.218886D+02  0.637479D+02 -0.813978D+01 -0.734986D+01  0.167593D+02
      4  -0.135988D+02  0.108895D+03 -0.103532D+02  0.123732D+01  0.351780D+02
      5   0.481792D+02  0.105076D+03 -0.997011D+01  0.663366D+01  0.369584D+02
      6  -0.129955D+02 -0.184470D+02  0.376921D-01  0.108185D+01 -0.568490D+01
               171           172           173           174           175 
      1  -0.605620D+01  0.114907D+03  0.251112D+02 -0.927765D+01 -0.588156D+02
      2  -0.164138D+01 -0.674270D+02 -0.459202D+02  0.135365D+02  0.448759D+02
      3   0.769757D+01 -0.474801D+02  0.208090D+02 -0.425880D+01  0.139397D+02
      4   0.944847D+00 -0.888267D+02 -0.138223D+02 -0.691446D+00  0.551959D+01
      5   0.137258D+01  0.532912D+02  0.656411D+02 -0.129447D+02 -0.691143D+02
      6  -0.619840D+00 -0.122894D+02 -0.164397D+02 -0.692358D+00  0.222836D+01
               176           177           178           179           180 
      1  -0.905174D+02 -0.280390D+01 -0.386702D+01 -0.164405D+02 -0.495443D+00
      2   0.172008D+03  0.415349D+01  0.125112D+02  0.402791D+02 -0.358643D+00
      3  -0.814910D+02 -0.134959D+01 -0.864422D+01 -0.238387D+02  0.854087D+00
      4  -0.113294D+03 -0.105952D+01 -0.574174D+01 -0.240455D+02 -0.175855D+02
      5  -0.142542D+03  0.863274D+01  0.115469D+01 -0.503141D+02 -0.878436D+01
      6   0.497652D+02 -0.126503D+01 -0.142458D+02  0.275982D+02 -0.137975D+01
               181           182           183           184           185 
      1  -0.626233D+02  0.106311D+02  0.618979D+01 -0.168623D+03  0.584648D+02
      2   0.289719D+02 -0.134216D+02 -0.741218D+01  0.115340D+03 -0.364287D+02
      3   0.336514D+02  0.279046D+01  0.122239D+01  0.532830D+02 -0.220361D+02
      4   0.626752D+02  0.285850D+02  0.885326D+01  0.588920D+02 -0.273730D+02
      5  -0.320951D+02 -0.188178D+02  0.134688D+02 -0.405088D+02 -0.340837D+02
      6   0.145304D+02 -0.739547D+00 -0.303583D+01  0.242865D+02 -0.670656D+01
               186           187           188           189           190 
      1  -0.219326D+02 -0.830198D+02  0.363732D+02  0.182918D+02  0.582304D+01
      2   0.954280D+01  0.563524D+02 -0.317004D+02 -0.151147D+02 -0.845565D+01
      3   0.123898D+02  0.266674D+02 -0.467276D+01 -0.317711D+01  0.263261D+01
      4   0.334060D+02  0.178828D+02  0.160977D+02 -0.190967D+02 -0.134679D+02
      5  -0.149404D+02  0.340659D+02 -0.594595D+02 -0.127946D+02 -0.143778D+02
      6   0.126302D+02 -0.767365D+01  0.204245D+02 -0.344212D+01 -0.162153D+01
               191           192           193           194           195 
      1   0.524028D+02 -0.303019D+02  0.185857D+03 -0.139980D+03  0.885213D+01
      2  -0.466347D+02  0.166236D+02 -0.110079D+03  0.949962D+02  0.514630D+01
      3  -0.576811D+01  0.136783D+02 -0.757776D+02  0.449841D+02 -0.139984D+02
      4   0.222017D+02  0.304605D+01 -0.881562D+02  0.538257D+02 -0.267837D+02
      5  -0.236212D+01  0.144693D+02 -0.146472D+02  0.605435D+02 -0.683069D+00
      6  -0.156264D+01  0.853017D+00 -0.114811D+02  0.168672D+01 -0.204907D+01
               196           197           198           199           200 
      1   0.145231D+02 -0.426705D+02  0.266302D+02  0.537980D+02  0.430332D+02
      2  -0.150219D+02  0.260361D+02 -0.261146D+02 -0.518962D+02 -0.434194D+02
      3   0.498813D+00  0.166344D+02 -0.515574D+00 -0.190178D+01  0.386224D+00
      4  -0.526842D+02  0.963635D+01 -0.130074D+02 -0.421705D+02 -0.330297D+02
      5   0.550000D+02  0.271838D+02  0.230624D+02  0.205024D+02  0.319590D+02
      6  -0.168622D+02  0.255620D+00 -0.129530D+02  0.475144D+01 -0.198611D+02
               201           202           203           204           205 
      1  -0.762682D+01 -0.768093D+01  0.267930D+02  0.115124D+02 -0.351218D-01
      2   0.112561D+01  0.267013D+02 -0.394641D+02 -0.217027D+02  0.124311D+02
      3   0.650121D+01 -0.190203D+02  0.126711D+02  0.101903D+02 -0.123960D+02
      4   0.115651D+02 -0.133534D+03 -0.375703D+02  0.324099D+02 -0.528896D+02
      5   0.386527D+01  0.599515D+02  0.169469D+02 -0.130492D+02  0.283254D+02
      6  -0.521337D+01  0.246345D+02 -0.839690D+01 -0.570852D+01  0.120652D+02
               206           207           208           209           210 
      1   0.275247D+01  0.618814D+01  0.365583D+01  0.125115D+03  0.195295D+02
      2  -0.755462D+01 -0.129524D+02 -0.656126D+01 -0.174070D+03 -0.104839D+02
      3   0.480215D+01  0.676422D+01  0.290544D+01  0.489551D+02 -0.904559D+01
      4  -0.868449D+01  0.113451D+02 -0.541680D+02  0.470412D+02  0.227486D+02
      5   0.110946D+02 -0.192580D+01  0.659591D+02  0.841171D+02  0.644466D+01
      6  -0.321074D+01 -0.536658D+01  0.605082D+01 -0.468144D+02 -0.289674D+02
               211           212           213           214           215 
      1   0.199884D+02  0.697671D+02  0.378250D+01 -0.390704D+01  0.221344D+02
      2  -0.301999D+02 -0.127050D+03 -0.367230D+01  0.188392D+02 -0.478660D+02
      3   0.102115D+02  0.572833D+02 -0.110197D+00 -0.149322D+02  0.257316D+02
      4   0.311252D+01  0.673144D+02  0.196619D+02 -0.344797D+01  0.296241D+02
      5   0.382447D+02  0.107815D+03 -0.220236D+01  0.394166D+02  0.175880D+02
      6   0.144727D+02 -0.504837D+02 -0.392598D+01 -0.389198D+02  0.680279D+01
               216           217           218           219           220 
      1  -0.679254D+01  0.242866D+02 -0.861344D+02 -0.171712D+02 -0.242381D+02
      2   0.746266D+00 -0.351254D+02  0.131795D+03  0.151332D+02  0.228890D+02
      3   0.604628D+01  0.108388D+02 -0.456607D+02  0.203796D+01  0.134911D+01
      4  -0.280971D+02  0.120986D+03 -0.538963D+02 -0.449469D+02 -0.643440D+01
      5  -0.120815D+02 -0.801721D+02 -0.897694D+02  0.825340D+00  0.160541D+02
      6   0.120365D+02 -0.230948D+02  0.396469D+02  0.267184D+02  0.115310D+01
               221           222           223           224           225 
      1  -0.284464D+02  0.178729D+02 -0.133732D+02  0.495116D+01 -0.253397D+02
      2   0.470159D+02 -0.281356D+02  0.652213D+01 -0.340035D+02  0.148938D+02
      3  -0.185695D+02  0.102627D+02  0.685105D+01  0.290524D+02  0.104459D+02
      4  -0.457177D+02  0.522796D+01 -0.845118D+01 -0.504392D+01 -0.577804D+00
      5  -0.141160D+02 -0.728063D+01  0.680851D+01 -0.210380D+02 -0.144071D+02
      6  -0.188782D+02  0.453171D+01  0.171131D+02  0.531248D+02  0.175685D+02
               226           227           228           229           230 
      1  -0.696303D+02 -0.276657D+00  0.132731D+02  0.166623D+02 -0.375119D+02
      2   0.632066D+02  0.313311D+01 -0.143084D+02 -0.346238D+02  0.600371D+02
      3   0.642376D+01 -0.285645D+01  0.103531D+01  0.179614D+02 -0.225252D+02
      4  -0.241590D+02  0.274298D+02  0.225632D+02  0.136826D+03  0.440953D+02
      5   0.233784D+02  0.673272D+01 -0.101177D+02 -0.759405D+02 -0.304504D+02
      6   0.124850D+02  0.114909D+01 -0.467718D+01 -0.272467D+02  0.124909D+02
               231           232           233           234           235 
      1  -0.857337D+01  0.123702D+02 -0.210962D+01 -0.208562D+02  0.551510D+02
      2   0.277914D+02 -0.176870D+02  0.614731D+01  0.195073D+02 -0.466402D+02
      3  -0.192180D+02  0.531683D+01 -0.403769D+01  0.134889D+01 -0.851079D+01
      4  -0.349535D+02  0.464223D+02  0.136042D+02 -0.130660D+02 -0.360420D+02
      5   0.165246D+02 -0.309762D+02 -0.802402D+01  0.112688D+02 -0.429752D+01
      6   0.718147D+01 -0.108331D+02  0.175804D+02  0.814145D+01 -0.373915D-01
               236           237           238           239           240 
      1   0.525806D+01 -0.160457D+02 -0.634848D+01  0.451527D+01  0.177740D+02
      2  -0.256470D+02  0.876304D+01  0.111153D+02  0.290281D+01 -0.242750D+02
      3   0.203889D+02  0.728271D+01 -0.476678D+01 -0.741808D+01  0.650106D+01
      4  -0.673448D+02 -0.109583D+02  0.383704D+02  0.226691D+02 -0.120706D+02
      5  -0.138647D+01 -0.304599D+01  0.265448D+01 -0.129966D+02  0.717866D+00
      6   0.715870D+01 -0.120611D+00 -0.890323D+01 -0.268688D+02  0.617400D+01
               241           242           243           244           245 
      1  -0.107512D+02  0.209034D+02 -0.801646D+01 -0.716768D+01 -0.321601D+02
      2   0.775512D+01 -0.255254D+02  0.746401D+01 -0.289159D+01  0.473825D+02
      3   0.299610D+01  0.462199D+01  0.552449D+00  0.100593D+02 -0.152224D+02
      4   0.304519D+02  0.140101D+02  0.145214D+02  0.405274D+02  0.501134D+02
      5   0.992161D+01  0.986614D+01  0.106166D+02 -0.222006D+02  0.212242D+00
      6   0.101075D+02  0.224158D+02  0.124154D+02 -0.160894D+01  0.301842D+01
               246           247           248           249           250 
      1  -0.676919D+01  0.545197D+02 -0.159541D+02 -0.252276D+02  0.425486D+02
      2   0.111472D+02 -0.606870D+02 -0.739695D+00  0.219935D+02 -0.404863D+02
      3  -0.437798D+01  0.616727D+01  0.166938D+02  0.323405D+01 -0.206225D+01
      4   0.270420D+01 -0.150845D+02 -0.438965D+02 -0.256760D+02 -0.206915D+02
      5   0.247684D+02 -0.496646D+02 -0.968199D+01  0.104358D+02  0.157230D+02
      6   0.145688D+02 -0.256845D+02 -0.545487D+01  0.569530D+01  0.183088D+02
               251           252           253           254           255 
      1   0.515297D+01 -0.906344D+01  0.205220D+02  0.236556D+02 -0.853826D+01
      2  -0.187152D+02  0.335576D+01 -0.267583D+02  0.439296D+01  0.868114D+01
      3   0.135622D+02  0.570768D+01  0.623628D+01 -0.280486D+02 -0.142876D+00
      4  -0.434927D+02  0.141379D+02  0.799431D+02  0.184699D+02 -0.128675D+02
      5   0.979320D+01 -0.968266D+01 -0.313674D+02 -0.665185D+01  0.969363D+00
      6   0.191570D+02 -0.104742D+02 -0.601878D+01  0.839274D+01  0.509858D+01
               256           257           258           259           260 
      1  -0.276672D+02  0.842295D+01  0.106001D+02 -0.793604D+01 -0.395056D+01
      2   0.368400D+02  0.345740D+01 -0.105309D+01  0.153839D+02  0.603948D+01
      3  -0.917274D+01 -0.118803D+02 -0.954702D+01 -0.744783D+01 -0.208892D+01
      4  -0.124429D+02  0.396790D+02  0.158462D+02 -0.239786D+02  0.829519D+01
      5   0.111047D+02  0.825508D+01  0.932859D+01  0.189722D+02  0.108091D+02
      6   0.148981D+02 -0.247511D+00 -0.373036D+01  0.200206D+02  0.407693D+01
               261           262           263           264           265 
      1   0.653285D+01 -0.513491D+02 -0.142978D+02  0.171240D+02 -0.140085D+02
      2  -0.802142D+01  0.604978D+02 -0.675465D+01 -0.269468D+02  0.968370D+01
      3   0.148857D+01 -0.914875D+01  0.210525D+02  0.982276D+01  0.432478D+01
      4   0.163763D+02 -0.750550D+02 -0.177551D+02  0.985777D+01  0.961427D+01
      5  -0.330216D+01  0.538342D+02 -0.903206D+01 -0.184183D+02  0.171629D+02
      6  -0.135113D+02  0.788203D+01  0.166448D+01 -0.358315D+01 -0.298690D+01
               266           267           268           269           270 
      1   0.779340D+01  0.744653D+01  0.304468D+00  0.104104D+02 -0.115912D+02
      2  -0.143687D+02 -0.841111D+01 -0.152421D+01 -0.307561D+01 -0.105178D+02
      3   0.657535D+01  0.964575D+00  0.121974D+01 -0.733482D+01  0.221089D+02
      4  -0.140040D+02  0.407035D+00  0.130034D+02  0.785071D+01 -0.967645D+01
      5   0.263046D+01 -0.108921D+02  0.267094D+01 -0.104161D+02  0.398523D+00
      6  -0.696294D+01  0.589718D+00 -0.298051D+01  0.220368D+01 -0.983672D+01
               271           272           273           274           275 
      1  -0.101445D+02  0.229045D+02 -0.157775D+01  0.165548D+02 -0.386898D+02
      2   0.319409D+02 -0.541046D+02 -0.244925D+00 -0.383088D+02  0.825632D+02
      3  -0.217965D+02  0.312001D+02  0.182267D+01  0.217539D+02 -0.438734D+02
      4  -0.331058D+02  0.463011D+02  0.185163D+01  0.315110D+02 -0.515274D+02
      5  -0.265696D+01  0.387974D+01  0.310308D+01  0.565763D+01 -0.817291D+01
      6  -0.336136D+01  0.612823D+01 -0.641053D+01 -0.374626D+01  0.345137D+01
               276           277           278           279           280 
      1  -0.452979D+01  0.187779D+01 -0.948986D+01 -0.258031D+01 -0.243210D+01
      2   0.672069D+01 -0.639506D+01  0.159620D+02  0.232987D+01  0.573405D+01
      3  -0.219090D+01  0.451727D+01 -0.647218D+01  0.250435D+00 -0.330195D+01
      4  -0.538305D+01 -0.393638D+01 -0.802639D-01 -0.653477D+01  0.720284D+01
      5  -0.242857D+01  0.302453D+01 -0.432828D+01  0.820222D-01  0.121983D+01
      6   0.468915D+01 -0.519476D+01  0.699760D+01  0.146580D+01  0.836931D+01
               281           282           283           284           285 
      1  -0.864028D+01 -0.406568D+01 -0.725300D+01 -0.621868D+02 -0.307766D+02
      2   0.115750D+02  0.553963D+01  0.990293D+01  0.974474D+02  0.410447D+02
      3  -0.293476D+01 -0.147394D+01 -0.264992D+01 -0.352606D+02 -0.102681D+02
      4   0.147094D+02  0.987038D+01  0.710899D+01  0.260216D+02  0.101434D+02
      5   0.445026D+01  0.278577D+01  0.170397D+01 -0.112017D+01 -0.140045D+00
      6   0.986267D+01  0.102909D+02  0.511713D+01  0.515994D+02  0.325203D+02
               286           287           288           289           290 
      1  -0.550986D+01 -0.335708D+02 -0.216914D+02  0.108049D+03  0.288293D+02
      2   0.117999D+02  0.474251D+02  0.271389D+02 -0.676563D+02 -0.160258D+02
      3  -0.629000D+01 -0.138543D+02 -0.544746D+01 -0.403924D+02 -0.128035D+02
      4   0.101159D+02  0.195635D+02  0.124998D+02  0.661044D+02  0.245540D+02
      5   0.174587D+01  0.213771D+01  0.341698D+01  0.592071D+02  0.150634D+02
      6   0.495820D+01  0.368753D+02  0.227310D+02  0.177634D+02  0.711142D+01
               291           292           293           294           295 
      1   0.396995D+02  0.642784D+01  0.150700D+02  0.445893D+01  0.389852D+02
      2  -0.292037D+02 -0.179335D+01 -0.516033D+01 -0.326267D+01 -0.228436D+02
      3  -0.104958D+02 -0.463449D+01 -0.990963D+01 -0.119626D+01 -0.161416D+02
      4   0.259789D+02  0.249970D+02  0.132581D+02  0.121090D+02  0.288399D+02
      5   0.331531D+02  0.124131D+02  0.584288D+01  0.857269D+01  0.249109D+02
      6   0.997031D+01  0.972820D+01  0.462512D+01  0.672733D+01  0.814931D+01
               296           297           298           299           300 
      1   0.763040D+01  0.167356D+02  0.725649D+00  0.550647D+01 -0.760650D+00
      2  -0.474668D+01 -0.116874D+02  0.455058D+01  0.112955D+01  0.130098D+01
      3  -0.288372D+01 -0.504820D+01 -0.527623D+01 -0.663601D+01 -0.540330D+00
      4   0.104623D+02  0.127956D+02  0.205743D+02  0.259392D+02  0.155580D+02
      5   0.105493D+02  0.149969D+02  0.991368D+01  0.132627D+02  0.109347D+02
      6   0.522895D+01  0.518652D+01  0.111237D+02  0.140026D+02  0.890914D+01
               301           302           303           304           305 
      1  -0.789512D+01 -0.355833D+02 -0.170754D+02 -0.680478D+01 -0.884405D+01
      2   0.198338D+02  0.550082D+02  0.218824D+02  0.941256D+01  0.223602D+02
      3  -0.119387D+02 -0.194249D+02 -0.480697D+01 -0.260778D+01 -0.135161D+02
      4   0.351860D+02  0.701518D+02  0.350526D+02  0.233746D+02  0.424294D+02
      5   0.127496D+02  0.277462D+02  0.171408D+02  0.123378D+02  0.143056D+02
      6   0.214588D+02  0.531820D+02  0.317192D+02  0.142502D+02  0.278787D+02
               306           307           308           309           310 
      1  -0.930597D+01  0.800892D+02 -0.452832D+02 -0.343373D+01 -0.440180D+02
      2   0.960568D+01 -0.299426D+02  0.146642D+02  0.196276D+01  0.713182D+01
      3  -0.299708D+00 -0.501466D+02  0.306190D+02  0.147097D+01  0.368861D+02
      4   0.211497D+02 -0.786124D+02  0.527699D+02  0.139071D+01  0.689346D+02
      5   0.133355D+02 -0.106237D+02  0.214897D+01  0.801882D+01  0.107034D+02
      6   0.213945D+02 -0.134495D+01  0.184593D+01 -0.362586D+01 -0.183605D+01
               311           312           313           314           315 
      1   0.323431D+02  0.444713D+01 -0.502408D+01  0.283693D+01  0.152526D+01
      2   0.411007D+00 -0.208563D+01  0.160613D+00  0.111025D+01 -0.493568D+00
      3  -0.327541D+02 -0.236150D+01  0.486346D+01 -0.394717D+01 -0.103170D+01
      4  -0.612246D+02 -0.556554D+01  0.120065D+02 -0.127298D+02 -0.295829D+01
      5  -0.133027D+02 -0.654148D+01  0.597595D+01  0.119764D+01 -0.127577D+01
      6   0.278716D+01  0.413737D+01 -0.215207D+01  0.649721D+00  0.232150D+01
               316           317           318           319           320 
      1   0.168300D+03  0.838360D+01  0.326486D+02  0.202994D+02  0.103084D+02
      2  -0.103975D+03 -0.529507D+01 -0.228415D+02 -0.138640D+02 -0.657290D+01
      3  -0.643254D+02 -0.308853D+01 -0.980712D+01 -0.643540D+01 -0.373549D+01
      4   0.622694D+00  0.642893D+01 -0.121236D+01  0.194462D+02  0.486620D+01
      5   0.448677D+02  0.142045D+01  0.198719D+02  0.114847D+02  0.886505D+01
      6  -0.672663D+01  0.850366D+00 -0.231460D+01  0.206048D+01 -0.820521D+00
               321           322           323           324           325 
      1   0.759685D+01  0.459298D+02  0.459261D+01  0.121372D+02  0.171972D+02
      2  -0.602303D+01 -0.307597D+02 -0.164534D+01 -0.896486D+01  0.142906D+02
      3  -0.157382D+01 -0.151700D+02 -0.294727D+01 -0.317235D+01 -0.314878D+02
      4   0.416681D+01  0.394652D+01  0.136140D+01  0.459708D+00 -0.704514D+02
      5   0.441313D+01  0.155817D+02 -0.433222D+01  0.747012D+01 -0.158071D+02
      6   0.132752D+01 -0.104108D+01  0.229935D+01  0.818433D+00  0.117071D+02
               326           327           328           329           330 
      1  -0.664414D+01 -0.298202D+01  0.465200D+01 -0.902117D+01 -0.236307D+01
      2  -0.231298D+02 -0.311176D+01 -0.287029D+02  0.427474D+02  0.812775D+01
      3   0.297739D+02  0.609379D+01  0.240509D+02 -0.337263D+02 -0.576468D+01
      4   0.647500D+02  0.167683D+02  0.533044D+02 -0.692878D+02 -0.175580D+02
      5   0.160791D+02  0.971457D+01  0.151411D+02 -0.140708D+02 -0.842825D+01
      6  -0.132945D+02 -0.812880D+01 -0.155014D+02  0.171628D+02  0.111332D+02
               331           332           333           334           335 
      1   0.178578D+00 -0.724194D+00  0.198251D+00 -0.732787D+01 -0.168339D+02
      2  -0.991443D+01  0.672801D+01  0.336948D+01  0.111639D+02  0.228252D+02
      3   0.973585D+01 -0.600382D+01 -0.356773D+01 -0.383605D+01 -0.599131D+01
      4   0.166133D+02 -0.173726D+02 -0.659875D+01  0.375197D+01  0.171900D+02
      5   0.475653D+01 -0.694722D+01 -0.390198D+01 -0.155771D+01  0.238220D+01
      6  -0.237286D+01  0.914646D+01  0.357482D+01  0.443454D+01  0.734213D+01
               336           337           338           339           340 
      1  -0.418050D+01 -0.283202D+01 -0.896783D+02 -0.248312D+02 -0.235443D+00
      2   0.509133D+01  0.284627D+01  0.133797D+03  0.324044D+02  0.225397D+01
      3  -0.910831D+00 -0.142522D-01 -0.441189D+02 -0.757324D+01 -0.201853D+01
      4   0.333686D+01  0.591246D+01 -0.137364D+02 -0.394438D+01 -0.327540D+00
      5   0.277532D+01  0.100021D+01 -0.672851D+01 -0.325823D+01  0.385378D+01
      6   0.332300D+01  0.237860D+01  0.514241D+02  0.222306D+02 -0.281815D+01
               341           342           343           344           345 
      1  -0.311806D+02 -0.966133D+01 -0.317092D+01 -0.669462D+01 -0.136238D+01
      2   0.462942D+02  0.122585D+02  0.120528D+02  0.191198D+02  0.380189D+01
      3  -0.151136D+02 -0.259713D+01 -0.888189D+01 -0.124252D+02 -0.243951D+01
      4  -0.820850D+01 -0.119503D+01  0.149563D+02  0.270600D+02  0.617026D+01
      5  -0.694241D+00 -0.302884D+00  0.183018D+01  0.534037D+01  0.413276D+01
      6   0.172022D+02  0.105879D+02  0.463567D+01  0.420205D+01  0.274385D+01
               346           347           348           349           350 
      1  -0.159995D+02 -0.599184D+02 -0.157475D+02 -0.371615D+01 -0.217625D+02
      2   0.302681D+02  0.102867D+03  0.235821D+02  0.634262D+01  0.330000D+02
      3  -0.142686D+02 -0.429489D+02 -0.783462D+01 -0.262647D+01 -0.112375D+02
      4   0.228098D+02  0.551416D+02  0.149890D+02  0.725130D+01  0.167332D+02
      5   0.665101D+01  0.143376D+02  0.596815D+01  0.169021D+01  0.516460D+01
      6   0.103327D+02  0.302446D+02  0.160946D+02  0.449687D+01  0.154417D+02
               351           352           353           354           355 
      1  -0.882856D+01  0.528978D+02  0.221687D+02 -0.150054D+01  0.111430D+02
      2   0.116152D+02 -0.139849D+02 -0.614072D+00  0.102445D+01  0.500095D+01
      3  -0.278659D+01 -0.389129D+02 -0.215546D+02  0.476094D+00 -0.161439D+02
      4   0.560876D+01  0.756661D+02  0.444910D+02 -0.232389D+01  0.335136D+02
      5   0.286962D+01 -0.384768D+01 -0.135859D+01  0.707428D+01  0.237966D+01
      6   0.841899D+01 -0.609651D+01 -0.376793D+01  0.463669D+01  0.108081D+01
               356           357           358           359           360 
      1   0.627828D+01  0.495602D+00 -0.371754D+01 -0.969734D+00  0.219607D+01
      2   0.717046D+01 -0.182793D+00  0.474333D+01  0.276946D+01 -0.356077D+00
      3  -0.134487D+02 -0.312809D+00 -0.102579D+01 -0.179973D+01 -0.184000D+01
      4   0.276648D+02  0.188514D+01  0.169238D+01  0.453740D+01  0.312355D+01
      5   0.159562D+01  0.227216D+01  0.225763D+01  0.195010D+01  0.204716D+01
      6  -0.116489D+01  0.189826D+01  0.560676D+00  0.152666D+01  0.117555D+01
               361           362           363           364           365 
      1   0.128125D+03 -0.154736D+02 -0.248599D+02 -0.838568D+01  0.194809D+02
      2  -0.756548D+02  0.805904D+01  0.186346D+02  0.294743D+01 -0.139312D+02
      3  -0.524699D+02  0.741454D+01  0.622523D+01  0.543825D+01 -0.554976D+01
      4  -0.164802D+02  0.296844D+02  0.773905D+01  0.698071D+02 -0.201007D+02
      5  -0.471844D+02  0.103418D+02  0.396941D+02  0.164573D+01 -0.268577D+02
      6   0.262560D+01 -0.905513D+01 -0.143244D+01 -0.255937D+02  0.587947D+01
               366           367           368           369           370 
      1  -0.321636D-01  0.689193D+01  0.209583D+01  0.321867D+01 -0.407728D+01
      2  -0.431935D+01  0.202800D+02 -0.379332D+01 -0.468033D+02  0.268201D+01
      3   0.435151D+01 -0.271720D+02  0.169749D+01  0.435846D+02  0.139528D+01
      4  -0.273505D+02  0.120383D+02 -0.115467D+02 -0.375708D+01 -0.176383D+01
      5  -0.107683D+02  0.632045D+02 -0.122782D+02 -0.557769D+02  0.476310D+01
      6   0.250126D+02 -0.125527D+01  0.158956D+02 -0.395415D+01  0.527355D+00
               371           372           373           374           375 
      1  -0.112102D+01  0.116202D+01 -0.416618D+01 -0.555090D+01 -0.149355D+01
      2  -0.124178D+01 -0.198222D+01  0.304879D+01 -0.168868D+01 -0.394326D+01
      3   0.236280D+01  0.820195D+00  0.111739D+01  0.723958D+01  0.543681D+01
      4  -0.810307D+00  0.704553D+00 -0.381458D+00 -0.260869D+01 -0.125312D+01
      5   0.397798D+01 -0.171268D+01  0.356009D+01  0.376479D+01 -0.281351D+01
      6  -0.914396D+00 -0.423227D+00 -0.126393D+00  0.112171D+01  0.102622D+01
               376           377           378 
      1  -0.745025D+00 -0.624665D+00 -0.358582D+01
      2   0.101558D+01 -0.292253D+01 -0.161677D+01
      3  -0.270551D+00  0.354719D+01  0.520259D+01
      4   0.843300D+00 -0.149613D+01 -0.598299D+00
      5   0.146469D+01 -0.111872D+00 -0.699820D+00
      6  -0.856323D+00  0.106379D+01  0.241819D+01
 Leave Link  716 at Sat Jul 17 02:13:19 2021, MaxMem=  6442450944 cpu:               0.6 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l9999.exe)
 AllDun F.D. properties on file 20721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.474253D+03 -0.187190D+02  0.501661D+02
      2  -0.187190D+02  0.443690D+03  0.420840D+02
      3   0.501661D+02  0.420840D+02  0.252687D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1   0.226441D+03 -0.683854D+02  0.169568D+03
      2  -0.123373D+03 -0.966328D+02 -0.489642D+02
      3   0.163577D+03  0.825467D+03 -0.293114D+03
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1  -0.727359D+03  0.707930D+02 -0.348043D+03
      2   0.243111D+03  0.159249D+02 -0.198921D+02
      3   0.484248D+03 -0.867178D+02  0.367935D+03
      4   0.120626D+03 -0.391678D+03 -0.346215D+03
      5  -0.146646D+03 -0.235804D+03  0.658300D+02
      6  -0.329878D+03  0.118037D+03 -0.193211D+03
 AllDun F.D. properties on file 20722 Mask=       B NFrqRd=     1 NDeriv=   126 ND12= 1 LenFil=    4539:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.116457D+01  0.126399D+01  0.667703D-02  0.603953D+00 -0.760499D+00
      2   0.126399D+01 -0.183134D+01  0.359216D+00 -0.760499D+00  0.181440D+01
      3   0.667703D-02  0.359216D+00 -0.958415D+00 -0.518719D+00  0.299006D+00
                 6             7             8             9            10 
      1  -0.518719D+00 -0.253130D+00 -0.184507D+00 -0.454694D+00 -0.365566D+01
      2   0.299006D+00 -0.184507D+00 -0.581015D+00  0.766685D+00  0.111380D+01
      3   0.109226D+01 -0.454694D+00  0.766685D+00  0.416896D+00 -0.236103D+01
                11            12            13            14            15 
      1   0.111380D+01 -0.236103D+01 -0.229224D+01  0.660401D+00 -0.169116D+01
      2  -0.132226D+01 -0.100054D+01  0.660401D+00  0.242584D+00 -0.116388D+01
      3  -0.100054D+01 -0.849738D+01 -0.169116D+01 -0.116388D+01 -0.163513D+01
                16            17            18            19            20 
      1  -0.392479D+01  0.771994D+00 -0.521986D+01  0.467634D+01 -0.158632D+01
      2   0.771994D+00 -0.674333D+01  0.172970D+01 -0.158632D+01  0.521414D+01
      3  -0.521986D+01  0.172970D+01 -0.711508D+01  0.209873D+01 -0.402146D+00
                21            22            23            24            25 
      1   0.209873D+01  0.363145D+01  0.133828D+01  0.355104D+01  0.398311D+01
      2  -0.402146D+00  0.133828D+01 -0.110254D+01  0.295351D+00 -0.187748D+01
      3  -0.376770D+00  0.355104D+01  0.295351D+00  0.161826D+01  0.420516D+01
                26            27            28            29            30 
      1  -0.187748D+01  0.420516D+01  0.843251D+00  0.235494D+00  0.147915D+01
      2   0.224556D+01 -0.295491D+01  0.235494D+00  0.240765D+00 -0.771823D-02
      3  -0.295491D+01  0.123177D+02  0.147915D+01 -0.771823D-02  0.195430D+01
                31            32            33            34            35 
      1   0.208722D+00  0.879064D+00  0.123214D+01  0.140596D+01  0.115594D+01
      2   0.879064D+00  0.190220D+01  0.292311D+01  0.115594D+01  0.165951D+01
      3   0.123214D+01  0.292311D+01  0.591361D+01  0.213297D+01  0.317708D+01
                36            37            38            39            40 
      1   0.213297D+01  0.615047D+01  0.417144D+00  0.307893D+01  0.811838D+01
      2   0.317708D+01  0.417144D+00  0.235966D+01  0.947024D+00 -0.240424D+01
      3   0.652785D+01  0.307893D+01  0.947024D+00  0.389857D+01  0.239956D+01
                41            42            43            44            45 
      1  -0.240424D+01  0.239956D+01  0.595470D+01 -0.478217D+01  0.634940D+01
      2   0.462367D+01 -0.797296D+00 -0.478217D+01  0.700942D+01 -0.461234D+01
      3  -0.797296D+00 -0.188932D+01  0.634940D+01 -0.461234D+01  0.114585D+02
                46            47            48            49            50 
      1   0.834454D+01 -0.167127D+01  0.652444D+01 -0.798068D+00  0.907063D+00
      2  -0.167127D+01  0.675687D+00 -0.155720D+01  0.907063D+00 -0.242751D+00
      3   0.652444D+01 -0.155720D+01  0.606277D+01  0.143940D+00  0.634490D+00
                51            52            53            54            55 
      1   0.143940D+00  0.577406D+01 -0.491192D+00  0.509634D+01 -0.131925D+01
      2   0.634490D+00 -0.491192D+00  0.178068D+00 -0.445457D+00  0.154372D+01
      3   0.109833D+01  0.509634D+01 -0.445457D+00  0.505485D+01 -0.370269D+01
                56            57            58            59            60 
      1   0.154372D+01 -0.370269D+01 -0.629068D+01  0.195401D+01 -0.667793D+01
      2  -0.320995D+01  0.213056D+01  0.195401D+01 -0.572325D+01  0.434039D+01
      3   0.213056D+01 -0.246111D+01 -0.667793D+01  0.434039D+01 -0.743273D+01
                61            62            63            64            65 
      1  -0.117416D+02  0.262731D+01 -0.677506D+01  0.539528D+01 -0.466303D+01
      2   0.262731D+01 -0.243680D+01  0.142491D+01 -0.466303D+01  0.461473D+01
      3  -0.677506D+01  0.142491D+01 -0.724275D+01  0.118344D+01 -0.119144D+01
                66            67            68            69            70 
      1   0.118344D+01 -0.483806D+01  0.488681D+01 -0.470944D+00  0.457958D+00
      2  -0.119144D+01  0.488681D+01 -0.583135D+01  0.799053D+00  0.871504D-01
      3   0.714614D+00 -0.470944D+00  0.799053D+00 -0.344354D+00  0.520858D+00
                71            72            73            74            75 
      1   0.871504D-01  0.520858D+00  0.132506D+02 -0.461337D+01  0.120696D+02
      2  -0.648360D+00 -0.636686D+00 -0.461337D+01  0.495678D+01 -0.304558D+01
      3  -0.636686D+00  0.111031D+00  0.120696D+02 -0.304558D+01  0.120229D+02
                76            77            78            79            80 
      1  -0.166084D+02  0.644450D+01 -0.194952D+02 -0.171432D+01  0.731296D+00
      2   0.644450D+01 -0.709932D+01  0.313501D+01  0.731296D+00  0.874683D+00
      3  -0.194952D+02  0.313501D+01 -0.226085D+02 -0.200634D+01 -0.126074D+01
                81            82            83            84            85 
      1  -0.200634D+01  0.190477D+02 -0.142134D+02  0.109836D+02  0.704647D+01
      2  -0.126074D+01 -0.142134D+02  0.272630D+02 -0.389375D+01 -0.305211D+01
      3  -0.497267D+01  0.109836D+02 -0.389375D+01  0.137657D+02  0.604631D+01
                86            87            88            89            90 
      1  -0.305211D+01  0.604631D+01  0.112955D+02 -0.863443D+01  0.137519D+02
      2  -0.164440D+01  0.692164D+00 -0.863443D+01  0.219565D+02 -0.776975D+01
      3   0.692164D+00  0.713490D+01  0.137519D+02 -0.776975D+01  0.152312D+02
                91            92            93            94            95 
      1  -0.231272D+02  0.599649D+01 -0.199164D+02  0.923964D+01 -0.226982D+01
      2   0.599649D+01 -0.850450D+01  0.365784D+01 -0.226982D+01  0.441946D+01
      3  -0.199164D+02  0.365784D+01 -0.201859D+02  0.128379D+02 -0.559484D+00
                96            97            98            99           100 
      1   0.128379D+02 -0.380627D+01  0.195144D+01 -0.379022D+01  0.103371D+02
      2  -0.559484D+00  0.195144D+01  0.125363D+01  0.209865D+01  0.225360D+01
      3   0.151752D+02 -0.379022D+01  0.209865D+01 -0.326086D+01  0.100411D+02
               101           102           103           104           105 
      1   0.225360D+01  0.100411D+02  0.271768D+02 -0.253875D+02  0.169572D+02
      2  -0.637136D+01 -0.339978D+00 -0.253875D+02  0.494258D+02 -0.122149D+02
      3  -0.339978D+00  0.962691D+01  0.169572D+02 -0.122149D+02  0.114472D+02
               106           107           108           109           110 
      1   0.194182D+02 -0.103996D+02  0.144969D+02 -0.625973D+01 -0.450563D+01
      2  -0.103996D+02  0.226914D+02 -0.572800D+01 -0.450563D+01  0.983102D+01
      3   0.144969D+02 -0.572800D+01  0.128714D+02 -0.783738D+01  0.930444D+00
               111           112           113           114           115 
      1  -0.783738D+01 -0.300027D+02  0.288290D+02 -0.199666D+02 -0.148609D+02
      2   0.930444D+00  0.288290D+02 -0.599370D+02  0.162840D+02  0.103508D+02
      3  -0.627978D+01 -0.199666D+02  0.162840D+02 -0.135295D+02 -0.123405D+02
               116           117           118           119           120 
      1   0.103508D+02 -0.123405D+02 -0.234364D+02  0.229070D+02 -0.135443D+02
      2  -0.185789D+02  0.483669D+01  0.229070D+02 -0.465232D+02  0.124265D+02
      3   0.483669D+01 -0.113291D+02 -0.135443D+02  0.124265D+02 -0.107607D+02
               121           122           123           124           125 
      1   0.676286D+01 -0.132826D+02  0.462004D+01 -0.102927D+02  0.111148D+02
      2  -0.132826D+02  0.200654D+02 -0.618036D+01  0.111148D+02 -0.183203D+02
      3   0.462004D+01 -0.618036D+01  0.340531D+01 -0.720361D+01  0.346630D+01
               126           127           128           129           130 
      1  -0.720361D+01  0.234696D+02 -0.108401D+02  0.798660D+01  0.263908D+01
      2   0.346630D+01 -0.108401D+02  0.802314D+02 -0.900099D+01  0.172881D+02
      3  -0.127243D+02  0.798660D+01 -0.900099D+01  0.328385D+01 -0.892917D+00
               131           132           133           134           135 
      1   0.172881D+02 -0.892917D+00  0.780510D+01  0.261948D+01  0.119945D+01
      2   0.202524D+02  0.424217D+01  0.261948D+01  0.291983D+02 -0.113546D+01
      3   0.424217D+01  0.304321D+00  0.119945D+01 -0.113546D+01  0.296749D+00
               136           137           138           139           140 
      1  -0.238890D+02  0.784349D+01 -0.741169D+01 -0.253072D+01 -0.111699D+02
      2   0.784349D+01 -0.809558D+02  0.107152D+02 -0.111699D+02 -0.167349D+02
      3  -0.741169D+01  0.107152D+02 -0.275868D+01  0.636351D-01 -0.146177D+01
               141           142           143           144           145 
      1   0.636351D-01 -0.614507D+01  0.551459D+00 -0.457162D+01 -0.131865D+02
      2  -0.146177D+01  0.551459D+00 -0.280246D+02  0.276594D+01 -0.998992D+00
      3  -0.123131D+00 -0.457162D+01  0.276594D+01 -0.231744D+01 -0.623986D+01
               146           147           148           149           150 
      1  -0.998992D+00 -0.623986D+01  0.143704D+02  0.363256D+01  0.103384D+02
      2  -0.176991D+02  0.329283D+00  0.363256D+01  0.457520D+02 -0.380510D+01
      3   0.329283D+00 -0.652120D+01  0.103384D+02 -0.380510D+01  0.903188D+01
               151           152           153           154           155 
      1   0.311605D+01  0.311124D+01 -0.345566D+01  0.179000D+02 -0.327613D+01
      2   0.311124D+01  0.667550D+01 -0.299935D+00 -0.327613D+01  0.208070D+02
      3  -0.345566D+01 -0.299935D+00 -0.499167D+01  0.143303D+02 -0.377724D+01
               156           157           158           159           160 
      1   0.143303D+02 -0.166914D+02 -0.354761D+01 -0.726286D+01  0.315060D+01
      2  -0.377724D+01 -0.354761D+01 -0.291495D+02  0.358128D+01 -0.666791D+00
      3   0.125791D+02 -0.726286D+01  0.358128D+01 -0.604687D+01  0.256845D+01
               161           162           163           164           165 
      1  -0.666791D+00  0.256845D+01  0.361392D+02  0.207595D+02 -0.229059D+01
      2   0.251653D+01 -0.597532D+01  0.207595D+02  0.386199D+02 -0.227222D+01
      3  -0.597532D+01 -0.400910D+00 -0.229059D+01 -0.227222D+01  0.722908D+00
               166           167           168           169           170 
      1  -0.201113D+02 -0.191081D+02  0.247345D+00 -0.499029D+01 -0.471448D+01
      2  -0.191081D+02 -0.575062D+02 -0.116125D+01 -0.471448D+01 -0.185989D+02
      3   0.247345D+00 -0.116125D+01 -0.592651D+00  0.175522D+00 -0.315365D+00
               171           172           173           174           175 
      1   0.175522D+00 -0.319604D+02 -0.202846D+02  0.325087D+01  0.257707D+02
      2  -0.315365D+00 -0.202846D+02 -0.366810D+02  0.281059D+01  0.247422D+02
      3  -0.413695D+00  0.325087D+01  0.281059D+01  0.418254D+00 -0.666373D+00
               176           177           178           179           180 
      1   0.247422D+02 -0.666373D+00  0.496705D+01  0.511827D+01 -0.180971D+01
      2   0.726537D+02 -0.170316D+01  0.511827D+01  0.168979D+02  0.132161D+01
      3  -0.170316D+01  0.296810D+00 -0.180971D+01  0.132161D+01  0.864327D+00
               181           182           183           184           185 
      1   0.146744D+02  0.100777D+02 -0.128711D+01  0.280035D+02  0.157344D+01
      2   0.100777D+02  0.156912D+02 -0.277409D+01  0.157344D+01  0.367643D+02
      3  -0.128711D+01 -0.277409D+01 -0.762433D+00  0.346639D+01 -0.658657D+01
               186           187           188           189           190 
      1   0.346639D+01  0.118778D+02  0.872290D+00 -0.328726D+01 -0.613843D+01
      2  -0.658657D+01  0.872290D+00  0.955083D+01  0.251290D+01 -0.488262D+01
      3   0.320327D+01 -0.328726D+01  0.251290D+01  0.577167D+00  0.235070D+01
               191           192           193           194           195 
      1  -0.488262D+01  0.235070D+01 -0.289181D+02  0.541162D+01 -0.801054D+00
      2   0.295138D+01 -0.193680D+01  0.541162D+01 -0.503891D+02  0.820352D+01
      3  -0.193680D+01 -0.976339D+00 -0.801054D+00  0.820352D+01 -0.235180D+01
               196           197           198           199           200 
      1  -0.609901D+01  0.243329D+01 -0.519367D+01 -0.161822D+02 -0.123539D+02
      2   0.243329D+01 -0.105140D+02  0.193001D+00 -0.123539D+02 -0.120046D+02
      3  -0.519367D+01  0.193001D+00 -0.247413D+01 -0.356434D+00  0.206466D+01
               201           202           203           204           205 
      1  -0.356434D+00 -0.424936D+02 -0.112382D+02  0.110200D+02 -0.196404D+02
      2   0.206466D+01 -0.112382D+02 -0.139881D+02  0.662367D+00 -0.408730D+01
      3  -0.139628D-01  0.110200D+02  0.662367D+00 -0.222553D+01  0.353557D+01
               206           207           208           209           210 
      1  -0.408730D+01  0.353557D+01 -0.329504D+02 -0.180365D+02  0.588053D+01
      2  -0.844534D+01  0.129151D+00 -0.180365D+02 -0.496674D+02 -0.840016D-01
      3   0.129151D+00 -0.194777D+01  0.588053D+01 -0.840016D-01 -0.506943D+01
               211           212           213           214           215 
      1  -0.165031D+02 -0.191482D+02  0.275567D+01 -0.274694D+01 -0.336464D+01
      2  -0.191482D+02 -0.469663D+02  0.535731D+00 -0.336464D+01 -0.120072D+02
      3   0.275567D+01  0.535731D+00 -0.101429D+01 -0.466359D+01  0.190775D+01
               216           217           218           219           220 
      1  -0.466359D+01  0.480951D+02  0.179713D+02 -0.108191D+02 -0.534730D+01
      2   0.190775D+01  0.179713D+02  0.420693D+02 -0.825277D+00 -0.429833D+00
      3   0.269020D+01 -0.108191D+02 -0.825277D+00  0.538779D+01  0.241394D+01
               221           222           223           224           225 
      1  -0.429833D+00  0.241394D+01 -0.407101D+01 -0.426399D+00  0.324852D+01
      2   0.138659D+02 -0.135429D+01 -0.426399D+00  0.306554D+00  0.614494D+01
      3  -0.135429D+01  0.434912D+00  0.324852D+01  0.614494D+01  0.185111D+01
               226           227           228           229           230 
      1  -0.102822D+02  0.213616D+01  0.519107D+01  0.483378D+02  0.153307D+02
      2   0.213616D+01  0.504051D+01 -0.680236D-01  0.153307D+02  0.175657D+02
      3   0.519107D+01 -0.680236D-01 -0.183633D+01 -0.124568D+02 -0.187631D+01
               231           232           233           234           235 
      1  -0.124568D+02  0.172435D+02  0.474012D+01 -0.493636D+01 -0.524085D+01
      2  -0.187631D+01  0.474012D+01  0.424133D+01  0.984909D+00 -0.744378D+01
      3   0.262919D+01 -0.493636D+01  0.984909D+00  0.252492D+01 -0.956329D+00
               236           237           238           239           240 
      1  -0.744378D+01 -0.956329D+00  0.488659D+01  0.413452D+01 -0.421669D+00
      2  -0.109715D+02  0.120648D+01  0.413452D+01  0.495915D+01 -0.268707D+01
      3   0.120648D+01  0.108274D+00 -0.421669D+00 -0.268707D+01  0.873930D+00
               241           242           243           244           245 
      1   0.488304D+01  0.362284D+01  0.165248D+01  0.162077D+02  0.595142D+01
      2   0.362284D+01  0.113738D+01  0.232687D+01  0.595142D+01  0.128797D+02
      3   0.165248D+01  0.232687D+01  0.232087D+01 -0.234598D+01  0.145676D+00
               246           247           248           249           250 
      1  -0.234598D+01  0.789148D+01 -0.441993D+01 -0.653572D+01  0.129610D+01
      2   0.145676D+00 -0.441993D+01 -0.423551D+01 -0.342148D+00 -0.484264D+01
      3   0.346768D+01 -0.653572D+01 -0.342148D+00  0.161982D+01  0.250983D+01
               251           252           253           254           255 
      1  -0.484264D+01  0.250983D+01  0.234408D+02  0.571581D+01 -0.651626D+01
      2  -0.647692D+01  0.245592D+01  0.571581D+01  0.641914D+01 -0.243653D+00
      3   0.245592D+01 -0.152679D+01 -0.651626D+01 -0.243653D+00  0.220729D+01
               256           257           258           259           260 
      1  -0.778832D+01  0.153567D+01  0.215576D+01 -0.751626D+01 -0.176443D+01
      2   0.153567D+01  0.362970D+01 -0.473530D+00 -0.176443D+01  0.150826D+00
      3   0.215576D+01 -0.473530D+00  0.810305D+00  0.454628D+01  0.120700D+01
               261           262           263           264           265 
      1   0.454628D+01 -0.273641D+02 -0.173075D+01  0.963314D+01 -0.189312D+01
      2   0.120700D+01 -0.173075D+01 -0.543983D+01 -0.128983D+01 -0.606688D+00
      3  -0.228687D+01  0.963314D+01 -0.128983D+01 -0.422122D+01  0.192309D+01
               266           267           268           269           270 
      1  -0.606688D+00  0.192309D+01  0.317577D+01  0.128944D+01 -0.115513D+01
      2  -0.208832D+01  0.120202D+01  0.128944D+01  0.487975D+01 -0.254964D+01
      3   0.120202D+01 -0.158587D+01 -0.115513D+01 -0.254964D+01 -0.769978D+00
               271           272           273           274           275 
      1   0.329337D+01 -0.456437D+01  0.801562D-02 -0.300691D+01  0.485605D+01
      2  -0.456437D+01  0.690184D+01 -0.138164D+00  0.485605D+01 -0.959698D+01
      3   0.801562D-02 -0.138164D+00  0.684257D+00  0.830528D+00 -0.113045D+01
               276           277           278           279           280 
      1   0.830528D+00  0.883334D+00 -0.638118D-02  0.812899D+00 -0.683583D+00
      2  -0.113045D+01 -0.638118D-02 -0.150775D+01 -0.688256D+00 -0.668041D+00
      3  -0.224516D+00  0.812899D+00 -0.688256D+00 -0.302120D-01 -0.101124D+01
               281           282           283           284           285 
      1  -0.668041D+00 -0.101124D+01 -0.341836D-01 -0.128072D+01 -0.267370D+00
      2  -0.199806D+01 -0.703722D+00 -0.128072D+01 -0.106118D+02 -0.500990D+01
      3  -0.703722D+00 -0.130763D+01 -0.267370D+00 -0.500990D+01 -0.305917D+01
               286           287           288           289           290 
      1  -0.957303D+00 -0.126008D+01 -0.728438D+00 -0.126894D+02 -0.360573D+01
      2  -0.126008D+01 -0.551968D+01 -0.369020D+01 -0.360573D+01 -0.791678D+00
      3  -0.728438D+00 -0.369020D+01 -0.205073D+01 -0.523370D+01 -0.132378D+01
               291           292           293           294           295 
      1  -0.523370D+01 -0.167319D+01 -0.215211D+01 -0.113353D+01 -0.507065D+01
      2  -0.132378D+01 -0.215211D+01  0.298130D+00 -0.942952D+00 -0.134097D+01
      3  -0.289865D+01 -0.113353D+01 -0.942952D+00 -0.975467D+00 -0.221047D+01
               296           297           298           299           300 
      1  -0.134097D+01 -0.221047D+01 -0.156703D+01 -0.237752D+01 -0.114128D+01
      2  -0.139682D+01 -0.106723D+01 -0.237752D+01 -0.152113D+01 -0.180077D+01
      3  -0.106723D+01 -0.108048D+01 -0.114128D+01 -0.180077D+01 -0.101381D+01
               301           302           303           304           305 
      1  -0.226451D+01 -0.389337D+01 -0.214915D+01 -0.108993D+01 -0.303106D+01
      2  -0.389337D+01 -0.102670D+02 -0.504314D+01 -0.303106D+01 -0.483605D+01
      3  -0.214915D+01 -0.504314D+01 -0.305413D+01 -0.130894D+01 -0.272385D+01
               306           307           308           309           310 
      1  -0.130894D+01 -0.943973D+01  0.618801D+01  0.312903D+00  0.676853D+01
      2  -0.272385D+01  0.618801D+01 -0.326528D+01 -0.704757D-01 -0.541089D+01
      3  -0.215644D+01  0.312903D+00 -0.704757D-01 -0.562431D+00 -0.651805D+00
               311           312           313           314           315 
      1  -0.541089D+01 -0.651805D+00  0.645657D+00 -0.994889D+00 -0.464426D+00
      2   0.585894D+01  0.645106D+00 -0.994889D+00  0.114083D+01 -0.199058D+00
      3   0.645106D+00  0.389049D+00 -0.464426D+00 -0.199058D+00  0.257567D+00
               316           317           318           319           320 
      1  -0.162068D+02 -0.790989D+00 -0.345359D+01 -0.212277D+01 -0.144915D+01
      2  -0.790989D+00  0.778065D-01 -0.217486D+00 -0.144915D+01 -0.158935D+01
      3  -0.345359D+01 -0.217486D+00 -0.139004D+01 -0.923917D+00 -0.432449D+00
               321           322           323           324           325 
      1  -0.923917D+00 -0.442794D+01 -0.440449D+00 -0.111858D+01 -0.670885D+01
      2  -0.432449D+00 -0.440449D+00  0.760825D+00  0.331042D+00  0.509218D+01
      3  -0.297592D+00 -0.111858D+01  0.331042D+00 -0.633875D+00  0.156636D+01
               326           327           328           329           330 
      1   0.509218D+01  0.156636D+01  0.353742D+01 -0.563975D+01 -0.152360D+01
      2  -0.591336D+01 -0.137671D+01 -0.563975D+01  0.675354D+01  0.172181D+01
      3  -0.137671D+01 -0.824690D+00 -0.152360D+01  0.172181D+01  0.106134D+01
               331           332           333           334           335 
      1   0.117580D+01 -0.195435D+01 -0.997706D-01  0.110099D+01  0.193999D+01
      2  -0.195435D+01  0.106382D+01  0.111194D+01  0.193999D+01  0.261072D+01
      3  -0.997706D-01  0.111194D+01  0.150606D+00  0.190835D+00  0.436799D+00
               336           337           338           339           340 
      1   0.190835D+00  0.311110D+00  0.284539D+00  0.203545D+00 -0.540341D+00
      2   0.436799D+00  0.284539D+00  0.145614D+02  0.402092D+01 -0.231725D+00
      3   0.239298D+00  0.203545D+00  0.402092D+01  0.167600D+01 -0.169149D+00
               341           342           343           344           345 
      1  -0.231725D+00 -0.169149D+00  0.152654D+01  0.197025D+01  0.378458D+00
      2   0.492583D+01  0.127160D+01  0.197025D+01  0.284087D+01  0.599279D+00
      3   0.127160D+01  0.887763D+00  0.378458D+00  0.599279D+00  0.407818D+00
               346           347           348           349           350 
      1   0.132193D+01  0.367615D+01  0.118602D+01  0.761684D+00  0.101429D+01
      2   0.367615D+01  0.119308D+02  0.312818D+01  0.101429D+01  0.394530D+01
      3   0.118602D+01  0.312818D+01  0.144844D+01  0.237584D+00  0.147692D+01
               351           352           353           354           355 
      1   0.237584D+00  0.106423D+02  0.527622D+01 -0.494357D+00  0.351240D+01
      2   0.147692D+01  0.527622D+01  0.322449D+01 -0.204285D+00  0.270301D+01
      3   0.759662D+00 -0.494357D+00 -0.204285D+00  0.688235D+00  0.341510D+00
               356           357           358           359           360 
      1   0.270301D+01  0.341510D+00  0.163176D+00  0.469239D+00  0.101716D+00
      2   0.234956D+01  0.186669D+00  0.469239D+00  0.796904D+00  0.169146D+00
      3   0.186669D+00  0.262335D+00  0.101716D+00  0.169146D+00  0.346986D+00
               361           362           363           364           365 
      1   0.104027D+02 -0.273171D+01 -0.190452D+01  0.293202D+01  0.617466D+01
      2  -0.273171D+01  0.833541D+00  0.391825D+00  0.617466D+01 -0.240156D+01
      3  -0.190452D+01  0.391825D+00  0.174534D+01 -0.703244D+00 -0.250211D+01
               366           367           368           369           370 
      1  -0.703244D+00  0.621999D+00  0.124343D+01  0.568663D+01 -0.148564D+01
      2  -0.250211D+01  0.124343D+01 -0.490508D+00 -0.134997D+01 -0.814471D+00
      3  -0.915297D+00  0.568663D+01 -0.134997D+01 -0.700720D+01  0.278412D+00
               371           372           373           374           375 
      1  -0.814471D+00  0.278412D+00 -0.862690D+00 -0.591145D+00  0.476701D+00
      2  -0.168330D+01  0.394491D+00 -0.591145D+00 -0.258347D+01 -0.104262D+00
      3   0.394491D+00 -0.308930D+00  0.476701D+00 -0.104262D+00 -0.102084D+01
               376           377           378 
      1  -0.167253D+00 -0.380241D+00  0.134619D+00
      2  -0.380241D+00 -0.930824D+00 -0.408495D+00
      3   0.134619D+00 -0.408495D+00 -0.784435D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.709757D+01 -0.110918D+02  0.200003D+01 -0.653701D+01  0.133025D+02
      2   0.628578D+01 -0.781705D+01  0.304431D+01 -0.420621D+01  0.774393D+01
      3  -0.515725D+01  0.520684D+00  0.113378D+01  0.808722D+01 -0.710044D+01
                 6             7             8             9            10 
      1  -0.208966D+01  0.789173D-01  0.252998D+01  0.417717D+01 -0.173546D+02
      2  -0.616950D+00  0.613239D+00  0.364247D+00  0.262166D+01  0.722444D+01
      3   0.263023D+01 -0.313425D+01 -0.492889D+01 -0.401127D+01  0.352454D+02
                11            12            13            14            15 
      1   0.142112D+02 -0.405947D+02 -0.115278D+02  0.193786D+02 -0.147135D+02
      2   0.990378D+01 -0.814189D+01  0.343262D+01  0.722958D+01  0.417696D+01
      3  -0.310541D+02  0.530250D+02  0.279817D+02 -0.363299D+02  0.171033D+02
                16            17            18            19            20 
      1  -0.197689D+02 -0.456370D+01 -0.574833D+01  0.164133D+02 -0.567080D+01
      2  -0.116872D+02  0.111128D+02  0.963037D+00  0.255646D+01 -0.882674D+01
      3   0.314749D+02 -0.246271D+02  0.319529D+02 -0.306054D+02  0.274169D+02
                21            22            23            24            25 
      1   0.216348D+02  0.168723D+02  0.118141D+02  0.288374D+01  0.125219D+02
      2   0.786602D+01 -0.265779D+01 -0.289371D+01 -0.598861D+01 -0.498190D+01
      3  -0.382081D+02 -0.204309D+02 -0.366694D+02 -0.101718D+02 -0.330080D+02
                26            27            28            29            30 
      1  -0.629479D+01  0.302698D+02  0.308032D+01 -0.233201D+01  0.275255D+01
      2   0.331808D+01  0.106382D+02  0.314746D+00 -0.207290D+01  0.493894D-01
      3   0.280335D+02 -0.498204D+02 -0.438068D+01  0.374520D+01 -0.582493D+01
                31            32            33            34            35 
      1   0.435343D+01  0.131138D+02  0.176654D+02  0.770174D+01  0.161484D+02
      2   0.381832D-02  0.164029D+01  0.765238D+01 -0.340934D+01  0.238356D+01
      3  -0.210929D+01 -0.805885D+01 -0.162654D+02 -0.337407D+01 -0.122427D+02
                36            37            38            39            40 
      1   0.193655D+02  0.211040D+02  0.797405D+01  0.955394D+01  0.124469D+02
      2   0.229689D+01 -0.717725D+01  0.870595D+00 -0.446117D+00 -0.122270D+02
      3  -0.128111D+02 -0.388989D+02 -0.121910D+02 -0.213367D+02 -0.377844D+02
                41            42            43            44            45 
      1  -0.180517D+02  0.781472D+01  0.146172D+02 -0.987563D+01  0.362866D+02
      2  -0.526167D+01 -0.182089D+01  0.204159D+01 -0.921550D+01  0.150113D+02
      3   0.391328D+02 -0.203653D+02 -0.350635D+02  0.573980D+02 -0.378597D+02
                46            47            48            49            50 
      1   0.994491D+01  0.491653D+00  0.903101D+01  0.250537D+01  0.564837D+00
      2  -0.975332D+01  0.629033D+00 -0.148073D+01  0.425386D+01 -0.184608D+01
      3  -0.189387D+02  0.448254D+00 -0.143854D+02  0.625455D+00 -0.671756D+00
                51            52            53            54            55 
      1   0.454008D+01  0.116457D+02  0.181189D+01  0.107272D+02 -0.241169D+02
      2   0.354793D+01 -0.804401D+01  0.100843D+01 -0.289039D+01 -0.113364D+02
      3  -0.295269D+01 -0.183954D+02 -0.266391D+01 -0.162603D+02  0.159221D+02
                56            57            58            59            60 
      1   0.238330D+02 -0.188718D+02 -0.270707D+02  0.102325D+02 -0.281164D+02
      2   0.203120D+02  0.295682D+01  0.578798D+00  0.137609D+02 -0.184026D+01
      3  -0.390035D+02  0.195372D+02  0.373453D+02 -0.281812D+02  0.357158D+02
                61            62            63            64            65 
      1  -0.331275D+02  0.381342D+02 -0.346836D+02 -0.550644D+01  0.512262D+01
      2  -0.403169D+01  0.142136D+02 -0.206268D+02 -0.821027D+01  0.613862D+01
      3   0.737723D+02 -0.748111D+02  0.532956D+02 -0.101365D+02  0.369102D+01
                66            67            68            69            70 
      1   0.241567D+00  0.750436D+01 -0.879936D+01 -0.246120D+01  0.783630D+00
      2   0.131814D+00  0.937979D+01 -0.940215D+01 -0.178770D+01 -0.131313D+01
      3  -0.256484D+00  0.876216D+01 -0.462649D+01  0.459388D+00 -0.371273D+00
                71            72            73            74            75 
      1  -0.238936D+01 -0.162558D+01  0.536792D+02 -0.352867D+02  0.572480D+02
      2  -0.627722D+00 -0.139956D+01  0.193674D+02 -0.125012D+02  0.202797D+02
      3   0.263852D+01  0.739901D+00 -0.105353D+03  0.864541D+02 -0.994024D+02
                76            77            78            79            80 
      1  -0.903625D+02 -0.223404D+02 -0.111094D+03 -0.417841D+01 -0.240293D+02
      2  -0.741511D+01 -0.284056D+02 -0.141368D+02 -0.718809D+01 -0.171374D+02
      3   0.163675D+03 -0.355518D+02  0.204672D+03  0.298781D+02  0.345376D+02
                81            82            83            84            85 
      1  -0.176282D+02  0.586543D+02 -0.227633D+02  0.632950D+02  0.213464D+02
      2  -0.143608D+02  0.279872D+02 -0.911339D+01  0.208640D+02  0.989925D+01
      3   0.436454D+02 -0.186375D+03  0.186560D+03 -0.119464D+03 -0.677774D+02
                86            87            88            89            90 
      1   0.231016D+02  0.293228D+02  0.735093D+02 -0.219190D+02  0.859669D+02
      2   0.183955D+02  0.115920D+02  0.156798D+01  0.522289D+01  0.954998D+01
      3   0.767912D+01 -0.766079D+02 -0.119434D+03  0.117460D+03 -0.156513D+03
                91            92            93            94            95 
      1  -0.571135D+02 -0.102743D+02 -0.653252D+02  0.365580D+02  0.177386D+01
      2   0.234457D+02 -0.228633D+02  0.146703D+02  0.749158D+00  0.611090D+01
      3   0.112078D+03 -0.552464D+02  0.113349D+03 -0.812115D+02  0.259350D+02
                96            97            98            99           100 
      1   0.451049D+02 -0.157287D+00 -0.135928D+02 -0.357332D+01  0.168304D+02
      2  -0.402953D+01  0.303459D+01 -0.995172D+01 -0.643355D+01 -0.539852D+01
      3  -0.952774D+02  0.963913D+00  0.409289D+02  0.529545D+01 -0.369732D+02
               101           102           103           104           105 
      1   0.122010D+02  0.234534D+02  0.766906D+02 -0.514804D+02  0.420404D+02
      2   0.154215D+02  0.172421D+01  0.166009D+02 -0.427788D+01  0.540770D+01
      3  -0.572601D+02 -0.464862D+02 -0.203862D+03  0.285439D+03 -0.105389D+03
               106           107           108           109           110 
      1   0.424148D+02 -0.755386D+01  0.341639D+02 -0.239522D+02 -0.285596D+02
      2  -0.155217D+02 -0.101227D+01 -0.149557D+02  0.258890D+01 -0.270454D+02
      3  -0.921780D+02  0.171338D+03 -0.741446D+02  0.705553D+02  0.639344D+02
               111           112           113           114           115 
      1  -0.268782D+02 -0.113579D+03  0.972737D+02 -0.707129D+02 -0.546973D+02
      2  -0.670800D+01 -0.266164D+02  0.369633D+02 -0.139191D+02 -0.310629D+02
      3   0.680248D+02  0.277046D+03 -0.461243D+03  0.179706D+03  0.132042D+03
               116           117           118           119           120 
      1   0.401983D+02 -0.442338D+02 -0.793689D+02  0.760940D+02 -0.584468D+02
      2   0.185217D+02 -0.138409D+02 -0.202138D+02  0.262061D+02 -0.115352D+02
      3  -0.156926D+03  0.940775D+02  0.230145D+03 -0.346423D+03  0.151890D+03
               121           122           123           124           125 
      1   0.346613D+02 -0.477145D+02  0.195984D+02 -0.428849D+02  0.302738D+02
      2   0.161334D+02 -0.262094D+02  0.855679D+01 -0.227209D+02  0.207751D+02
      3  -0.680845D+02  0.188089D+03 -0.470855D+02  0.886390D+02 -0.146283D+03
               126           127           128           129           130 
      1  -0.602753D+02  0.593296D+02 -0.969621D+02  0.249722D+02 -0.351308D+01
      2  -0.152781D+02  0.119801D+02 -0.487640D+02  0.806408D+01 -0.159791D+02
      3   0.743833D+02 -0.678960D+02  0.473690D+03 -0.522277D+02  0.107789D+03
               131           132           133           134           135 
      1  -0.217991D+02  0.244076D+01  0.790192D+01 -0.115851D+02 -0.557806D+01
      2  -0.209420D+02 -0.163386D+01 -0.196978D+02 -0.196444D+02 -0.605697D+01
      3   0.928103D+02  0.194088D+02  0.429887D+02  0.177122D+03 -0.236259D+01
               136           137           138           139           140 
      1  -0.647659D+02  0.127135D+03 -0.321156D+02  0.997414D+01  0.195932D+02
      2  -0.130853D+02  0.898450D+02 -0.135476D+02  0.273228D+02  0.249103D+02
      3   0.727705D+02 -0.624972D+03  0.838795D+02 -0.970578D+02 -0.125291D+03
               141           142           143           144           145 
      1  -0.408309D+00 -0.146025D+02  0.734425D+02 -0.649095D+01 -0.218755D+02
      2   0.560270D+01  0.175917D+01  0.384309D+02 -0.997325D+00 -0.108121D+02
      3  -0.158781D+02 -0.196351D+02 -0.212167D+03  0.148072D+02  0.542070D+02
               146           147           148           149           150 
      1   0.791421D+01 -0.225439D+02  0.396721D+02 -0.850389D+02  0.383923D+02
      2   0.152623D+02  0.489338D+01 -0.123476D+02 -0.621553D+02 -0.250765D+01
      3  -0.117252D+03  0.328857D+02  0.785608D+00  0.348738D+03 -0.559689D+02
               151           152           153           154           155 
      1  -0.148153D+02  0.113924D+02 -0.112395D+02  0.616962D+02 -0.268172D+02
      2   0.104038D+02 -0.896982D+01  0.107632D+02  0.215311D+02 -0.269222D+02
      3   0.903764D+01  0.597114D+02  0.109967D+02 -0.129769D+03  0.174534D+03
               156           157           158           159           160 
      1   0.522136D+02 -0.266168D+02  0.418956D+02 -0.288674D+02  0.729585D+01
      2   0.912118D+01 -0.220087D+00  0.179471D+02  0.147679D+01 -0.616250D+01
      3  -0.104495D+03  0.334663D+02 -0.195636D+03  0.491237D+02 -0.546270D+02
               161           162           163           164           165 
      1  -0.821658D+01  0.100975D+02 -0.110043D+02 -0.597369D+02  0.452191D+01
      2   0.338230D+02  0.106603D+02 -0.138582D+02 -0.215356D+02  0.322248D+00
      3   0.209593D+02 -0.655118D+02  0.160468D+03  0.232033D+03 -0.106482D+02
               166           167           168           169           170 
      1  -0.542763D+01  0.497485D+02 -0.195614D+01 -0.103792D+02  0.458029D+02
      2   0.246393D+02  0.318254D+02  0.213959D+01 -0.197913D+02  0.160100D+02
      3  -0.158327D+03 -0.292751D+03 -0.114356D+02 -0.621174D+01 -0.114690D+03
               171           172           173           174           175 
      1  -0.874383D+01  0.292791D+02  0.658276D+02 -0.131532D+01  0.528977D+01
      2   0.185607D+01  0.497837D+02  0.375580D+02 -0.168545D+01 -0.175134D+02
      3   0.431365D+01 -0.267132D+03 -0.293152D+03  0.196916D+02  0.199756D+03
               176           177           178           179           180 
      1  -0.911995D+02  0.119358D+02  0.158952D+02 -0.249618D+01  0.294807D+01
      2  -0.711382D+02  0.195720D+01 -0.129167D+02 -0.327768D+02 -0.524250D+01
      3   0.514419D+03 -0.152584D+02  0.144596D+02  0.130952D+03 -0.308474D+01
               181           182           183           184           185 
      1  -0.246543D+02 -0.388534D+02  0.259182D+01  0.357033D+01 -0.634651D+02
      2  -0.318064D+02 -0.145502D+02  0.478346D+01 -0.199731D+02 -0.292416D+02
      3   0.156192D+03  0.143395D+03 -0.206068D+02  0.847276D+02  0.282359D+03
               186           187           188           189           190 
      1   0.392105D+01  0.187274D+02 -0.102497D+02 -0.155889D+01  0.126121D+02
      2  -0.578783D+01 -0.940414D+00 -0.488720D+02 -0.721958D+01  0.634945D+01
      3  -0.406825D+02  0.312186D+02  0.827903D+02  0.102247D+02 -0.623774D+02
               191           192           193           194           195 
      1  -0.115237D+02  0.499845D+01 -0.377965D+02  0.770976D+02 -0.147812D+02
      2  -0.717555D+01  0.106390D+02 -0.145816D+02  0.561358D+02 -0.451024D+01
      3   0.344288D+02 -0.162623D+02  0.130833D+01 -0.397163D+03  0.671727D+02
               196           197           198           199           200 
      1  -0.106252D+01  0.460027D+02  0.389068D+01  0.215589D+01  0.214906D+02
      2   0.203015D+02  0.265749D+02  0.101532D+02 -0.883275D+01 -0.333904D+01
      3  -0.688612D+01 -0.704364D+02 -0.787048D+01 -0.425227D+02 -0.600678D+02
               201           202           203           204           205 
      1   0.126773D+01  0.107726D+02  0.266108D+02 -0.495800D+01 -0.605407D-01
      2  -0.146127D+01  0.219811D+02  0.441337D+01 -0.391001D+01 -0.572994D+01
      3  -0.840271D-02 -0.241295D+03 -0.970294D+02  0.617397D+02 -0.106429D+03
               206           207           208           209           210 
      1   0.272659D+02  0.248774D+01  0.264292D+01  0.621354D+02  0.735062D+01
      2  -0.165879D+01  0.410795D+01  0.316683D+02  0.495279D+02  0.163683D+01
      3  -0.813843D+02  0.256987D+02 -0.253056D+03 -0.345017D+03  0.412123D+02
               211           212           213           214           215 
      1  -0.120580D+02  0.551357D+02 -0.796747D+01  0.316354D+02  0.223787D+02
      2   0.171621D+02  0.589527D+02 -0.284609D+01  0.909248D+00 -0.268695D+01
      3  -0.143635D+03 -0.360930D+03  0.239631D+02 -0.346413D+02 -0.797476D+02
               216           217           218           219           220 
      1  -0.827629D+01 -0.465745D+01 -0.625970D+02 -0.142958D+01  0.785589D+01
      2  -0.127414D+01 -0.465281D+02 -0.324277D+02  0.673878D+01  0.114110D+02
      3  -0.179427D+02  0.364921D+03  0.275909D+03 -0.801775D+02 -0.404916D+02
               221           222           223           224           225 
      1   0.481643D+01 -0.817496D+01 -0.120207D+02 -0.242006D+02 -0.121199D+02
      2  -0.105842D+02 -0.431576D+01 -0.222315D+02 -0.198267D+02 -0.806059D+01
      3   0.738801D+02  0.154533D+02 -0.352150D+02  0.150977D+02  0.494602D+02
               226           227           228           229           230 
      1   0.806406D+00 -0.708373D+01 -0.120259D+01  0.141081D+00 -0.434454D+02
      2  -0.103179D+01 -0.230460D+02 -0.341793D+01 -0.406656D+02 -0.990035D+01
      3  -0.671405D+02  0.103579D+03  0.243815D+02  0.375918D+03  0.154597D+03
               231           232           233           234           235 
      1   0.974429D+01 -0.620797D+01 -0.491458D+01 -0.218179D+01 -0.103116D+01
      2   0.120662D+02 -0.366441D+02 -0.996976D+01  0.878301D+01  0.109622D+02
      3  -0.103921D+03  0.124423D+03  0.426769D+02 -0.339290D+02 -0.600530D+02
               236           237           238           239           240 
      1   0.119713D+02 -0.518749D-04 -0.763967D+00  0.636929D+00 -0.399295D+01
      2   0.264528D+02 -0.408978D+01  0.249026D+00 -0.558331D+01  0.242151D+01
      3  -0.133379D+03  0.133368D+02  0.405830D+02  0.193718D+02 -0.616074D+01
               241           242           243           244           245 
      1  -0.117921D+02 -0.114944D+02 -0.843674D+01 -0.218182D+01 -0.142912D+02
      2  -0.219852D+02  0.336280D+00  0.121047D+02 -0.861763D+01 -0.137215D+02
      3   0.373972D+02  0.474451D+02 -0.263139D+01  0.923242D+02  0.746772D+02
               246           247           248           249           250 
      1  -0.886996D+01  0.170092D+02  0.411210D+01 -0.203479D+01 -0.142264D+02
      2   0.100998D+02  0.367120D+00  0.221983D+01 -0.501796D+01  0.745405D+01
      3  -0.145365D+02  0.119363D+02 -0.461997D+02 -0.951490D+01 -0.230546D+01
               251           252           253           254           255 
      1   0.395585D+01  0.890177D+01  0.628500D+01  0.570351D+01 -0.615458D+01
      2   0.142540D+02 -0.731538D+01 -0.319442D+02 -0.919372D+01  0.424297D+01
      3  -0.389195D+02  0.224573D+02  0.190941D+03  0.653353D+02 -0.663094D+02
               256           257           258           259           260 
      1   0.570722D+01 -0.964160D+01 -0.504447D+01 -0.113281D+02  0.773778D+01
      2  -0.506930D+01 -0.148851D+01  0.102422D+02 -0.120128D+02 -0.365876D+01
      3  -0.365855D+01  0.241078D+02 -0.158119D+02 -0.354214D+02 -0.203114D+02
               261           262           263           264           265 
      1   0.996820D+01 -0.723623D+01  0.127822D+01  0.484992D+01 -0.552801D+01
      2   0.826376D+01  0.179809D+02  0.134401D+02 -0.150542D+01  0.592105D+01
      3   0.172529D+02 -0.181603D+03 -0.579383D+02  0.594250D+02 -0.852450D+01
               266           267           268           269           270 
      1  -0.367411D+01 -0.415412D+00  0.400044D+01  0.788390D+01  0.369219D+01
      2   0.183819D+01 -0.547080D+01 -0.112117D+02 -0.549738D+01 -0.331804D+01
      3   0.178780D+02  0.140095D+02 -0.471748D+01 -0.949417D+01  0.124965D+02
               271           272           273           274           275 
      1   0.215563D+01 -0.269297D+01  0.540809D+01  0.333996D+01 -0.385923D+01
      2   0.125113D+01 -0.143640D+01  0.279232D+01 -0.535983D+00  0.162027D+01
      3  -0.183564D+02  0.200361D+02 -0.226573D+01  0.172510D+02 -0.244245D+02
               276           277           278           279           280 
      1  -0.195938D+01  0.282500D+01  0.125687D+00  0.164248D+00 -0.497547D+01
      2  -0.926210D+00  0.134229D+01 -0.287263D-01  0.504605D+00 -0.151580D+01
      3  -0.625425D+01 -0.102373D+02  0.323956D+01 -0.666053D+01  0.556171D+01
               281           282           283           284           285 
      1  -0.965017D+00 -0.675520D+01 -0.557835D+00 -0.127227D+02 -0.122543D+02
      2   0.436661D+00 -0.534817D+00 -0.107765D+01  0.161235D+01  0.205339D+01
      3  -0.432801D+01  0.686723D+01 -0.259975D+00 -0.310543D+01 -0.397019D+01
               286           287           288           289           290 
      1  -0.128152D+01 -0.933243D+01 -0.584539D+01 -0.900149D+01 -0.592576D+00
      2  -0.173583D+01  0.292306D+00  0.130475D+01  0.215027D+01  0.593835D+00
      3   0.716559D+01  0.209896D+01 -0.408281D+00  0.119188D+02  0.129907D+01
               291           292           293           294           295 
      1  -0.570732D+01 -0.173314D-01 -0.253157D+01 -0.153634D+01 -0.170447D+01
      2   0.723910D+01  0.395734D+01 -0.155056D+01  0.304269D+01 -0.174461D+01
      3   0.556638D+01 -0.618529D+01  0.116649D+02 -0.160063D+01  0.610410D+01
               296           297           298           299           300 
      1  -0.120287D+01 -0.261168D+00  0.239960D+00 -0.392577D+01 -0.863791D+00
      2   0.137727D+01  0.210824D+01  0.293951D+01  0.178090D+01  0.366261D+01
      3  -0.312825D+01 -0.121228D+01 -0.629301D+01  0.426042D+01 -0.576335D+01
               301           302           303           304           305 
      1  -0.138854D+01 -0.302679D-01 -0.500795D+01  0.162427D+01  0.163870D+01
      2   0.220511D+01  0.135474D+02  0.824901D+01  0.230351D+01  0.203330D+01
      3  -0.328914D+01 -0.298605D+02 -0.133008D+02 -0.758614D+01 -0.775554D+01
               306           307           308           309           310 
      1  -0.296026D+01 -0.383886D+01  0.380030D+00  0.273749D+01  0.408611D+01
      2   0.474791D+01 -0.398016D+01 -0.356717D+00  0.440106D+01  0.424545D+01
      3  -0.557758D+01  0.143161D+02 -0.437461D+01  0.279033D-02 -0.110471D+02
               311           312           313           314           315 
      1  -0.541261D+01 -0.334141D+01 -0.425920D+00  0.111533D+01 -0.382415D+00
      2  -0.732847D+01 -0.400672D+01 -0.639843D+00  0.294765D+01 -0.647409D+00
      3   0.241882D+02  0.302530D+01 -0.291288D+01  0.545819D+01 -0.321510D+01
               316           317           318           319           320 
      1   0.128090D+01  0.134623D+00  0.306549D+00  0.852634D+00  0.361706D+01
      2   0.802414D+01 -0.201279D+00  0.850047D+01  0.427401D+01  0.462235D+01
      3  -0.171772D+02 -0.832425D+00 -0.496442D+01 -0.799504D+01 -0.149237D+02
               321           322           323           324           325 
      1  -0.176580D+00 -0.204815D+00 -0.765924D+00 -0.782496D+00 -0.202203D+01
      2   0.218698D+01 -0.606376D+00 -0.228231D+01  0.162894D+01  0.244862D+01
      3  -0.317227D+01 -0.598714D+01  0.132165D+01  0.211981D+01 -0.162282D+02
               326           327           328           329           330 
      1   0.303359D+01  0.377569D+01  0.444754D+01 -0.116548D+01 -0.492442D+01
      2   0.419585D+00  0.316120D+01  0.194259D+01  0.244287D+00 -0.312032D+01
      3  -0.203339D+01  0.209232D+01 -0.189085D+01 -0.490258D+01 -0.134292D+01
               331           332           333           334           335 
      1  -0.331880D+01 -0.134223D+01 -0.941436D+00 -0.123689D+01 -0.167072D+01
      2  -0.144249D+01  0.149099D+00 -0.121898D+01 -0.286981D+01 -0.290136D+01
      3  -0.160958D+01 -0.783500D+01  0.509883D+01  0.145199D+02  0.150089D+02
               336           337           338           339           340 
      1  -0.107463D+01 -0.123759D+01 -0.945138D+01 -0.853520D+01  0.301513D+01
      2   0.255858D+00 -0.153778D+01 -0.806322D+01 -0.251135D+01  0.151469D+01
      3   0.442224D+00  0.442331D+01  0.298216D+02  0.102159D+02 -0.475466D+01
               341           342           343           344           345 
      1   0.320542D+01 -0.271784D+01 -0.121396D+01 -0.106277D+01 -0.173880D+01
      2  -0.274015D+00 -0.257204D+00  0.958696D+00  0.947402D-01  0.679552D+00
      3   0.539874D+01  0.106028D+00  0.788230D+00  0.169639D+01  0.197019D+01
               346           347           348           349           350 
      1  -0.311721D+01 -0.812900D+01 -0.816110D+01 -0.594955D+00 -0.173516D+01
      2   0.279558D+00  0.385751D+01  0.258347D+01 -0.411870D+00  0.410582D+00
      3   0.335401D+01 -0.215155D+00  0.923321D+00  0.337676D+01 -0.267745D+01
               351           352           353           354           355 
      1  -0.282119D+01 -0.776248D+00 -0.583972D+00 -0.279353D+01 -0.286165D+01
      2   0.445629D+00 -0.153652D+01 -0.539605D+00  0.454338D+01  0.260117D+01
      3  -0.465447D-01  0.326689D+02  0.100505D+02 -0.227390D+01  0.679570D+01
               356           357           358           359           360 
      1  -0.135926D+01 -0.109585D+01  0.140075D+01  0.129605D+00 -0.834300D+00
      2   0.134423D+01  0.119332D+01 -0.142179D+01 -0.128286D+01  0.839536D+00
      3   0.253580D+01  0.262295D+01 -0.466691D+01  0.108051D+01 -0.186489D+00
               361           362           363           364           365 
      1   0.267324D+01 -0.552595D+01 -0.880590D+00 -0.515600D+00  0.103817D+02
      2   0.813967D+01  0.486160D+01  0.135961D+02 -0.360994D+01 -0.598720D+01
      3  -0.111230D+01 -0.408780D+02  0.415548D+01  0.210671D+02  0.437972D+02
               366           367           368           369           370 
      1  -0.598138D+01 -0.958487D+01  0.133033D+02  0.852458D+01 -0.765748D-01
      2  -0.564430D+01 -0.196790D+01 -0.809655D+01 -0.122383D+02 -0.234774D+01
      3  -0.360191D+01  0.183729D+02  0.205401D+02  0.203554D+02  0.136462D+01
               371           372           373           374           375 
      1   0.393256D+01 -0.641722D+00 -0.265075D+00  0.606597D+01 -0.984650D+00
      2  -0.236044D+01 -0.633073D-01 -0.335589D+01 -0.467622D+01  0.200108D+00
      3   0.851360D+00  0.200857D+01  0.935140D+01  0.150475D+02 -0.860743D+00
               376           377           378 
      1   0.145838D+01  0.512546D+01 -0.666152D+00
      2  -0.110981D+01 -0.716563D+00 -0.815830D+00
      3  -0.251174D+01  0.280054D+01  0.328171D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.214628D+01 -0.321448D+01  0.222568D+01  0.185798D+01 -0.706275D+00
      2  -0.211685D+01  0.224540D+01  0.299757D+01  0.183232D+01 -0.155151D+01
      3  -0.294319D-01  0.969085D+00 -0.522325D+01 -0.369030D+01  0.225778D+01
      4   0.286616D+00 -0.951825D+00  0.710066D+00  0.299158D+00 -0.369647D+00
      5  -0.715482D+01  0.723258D+01  0.315660D+01  0.659129D+01 -0.826517D+01
      6   0.341089D+01 -0.486393D+01 -0.944293D+00 -0.264441D+01  0.610967D+01
                 6             7             8             9            10 
      1  -0.331718D+01  0.189235D+01 -0.375371D+01 -0.442480D+00 -0.831806D+01
      2  -0.450013D+01  0.852215D+00 -0.134202D+01 -0.242406D+01  0.129386D+02
      3   0.781731D+01 -0.274456D+01  0.509573D+01  0.286654D+01 -0.462054D+01
      4   0.806510D+00  0.151817D+01  0.636463D+00 -0.116551D+00  0.178467D+02
      5  -0.485597D+01  0.246510D+01 -0.702924D+00 -0.433255D+01 -0.271616D+02
      6   0.361564D+01 -0.812390D+00  0.259333D+01  0.389251D+01  0.106657D+02
                11            12            13            14            15 
      1   0.586875D+01  0.174858D+02 -0.921329D+01  0.323863D+00 -0.765359D+01
      2   0.499838D+01  0.379951D+02  0.151985D+02  0.157138D+00  0.144498D+02
      3  -0.108671D+02 -0.554809D+02 -0.598520D+01 -0.481001D+00 -0.679620D+01
      4   0.151569D+01  0.474581D+01  0.551603D+01  0.156984D+02  0.648200D+01
      5   0.750825D+01  0.443770D+01 -0.158286D+02  0.365890D+01 -0.252161D+01
      6  -0.570912D+01  0.168385D+02  0.129789D+02  0.447443D+01  0.139548D+02
                16            17            18            19            20 
      1  -0.564288D+01 -0.289843D+01  0.369097D+00  0.159869D+02 -0.102450D+02
      2   0.307896D+02 -0.188573D+01  0.288359D+02 -0.116547D+02  0.188734D+01
      3  -0.251468D+02  0.478416D+01 -0.292050D+02 -0.433213D+01  0.835770D+01
      4   0.886546D+01 -0.131789D+01  0.229696D+02 -0.209324D+02  0.803993D+01
      5  -0.136702D+02  0.217231D+02 -0.281009D+02  0.215819D+02 -0.245185D+02
      6   0.226566D+02 -0.128274D+02  0.209401D+02 -0.167335D+02  0.147833D+02
                21            22            23            24            25 
      1   0.163044D+02 -0.140738D+01  0.163486D+02  0.103382D+02  0.149719D+01
      2   0.584561D+01 -0.218943D+02 -0.681946D+01 -0.131514D+02 -0.209182D+02
      3  -0.221500D+02  0.233017D+02 -0.952918D+01  0.281326D+01  0.194210D+02
      4  -0.153881D+02  0.906085D+01 -0.424508D+01 -0.248923D+01 -0.156418D+02
      5   0.562721D-01  0.180593D+02  0.118869D+02  0.219324D+02  0.243180D+02
      6   0.270815D+01  0.239540D+01 -0.103180D+02 -0.105579D+02 -0.217624D+02
                26            27            28            29            30 
      1   0.681768D+01 -0.303380D+02 -0.198023D+01  0.824728D+00 -0.375274D+01
      2   0.120132D+02 -0.495357D+02 -0.822685D+01 -0.160132D+01 -0.110512D+02
      3  -0.188309D+02  0.798737D+02  0.102071D+02  0.776587D+00  0.148039D+02
      4  -0.751300D+00 -0.179524D+02  0.593969D+00  0.299334D+01  0.906760D+00
      5  -0.200614D+02  0.111907D+02  0.699370D+01  0.328462D+01  0.134930D+02
      6   0.584763D+01 -0.488511D+02  0.118397D+01  0.207823D+01 -0.188513D+01
                31            32            33            34            35 
      1  -0.437518D+01 -0.124888D+02 -0.247927D+02 -0.556157D+01 -0.115690D+02
      2  -0.665194D+01 -0.119575D+02 -0.282741D+02 -0.115897D+02 -0.145819D+02
      3   0.110271D+02  0.244464D+02  0.530668D+02  0.171512D+02  0.261509D+02
      4   0.443337D+01  0.682053D+01  0.952735D+01  0.416257D+01  0.522242D+01
      5   0.509301D+01  0.604172D+01  0.992639D+01  0.113589D+02  0.886327D+01
      6   0.701329D+01  0.151671D+02  0.213401D+02  0.726859D+01  0.114475D+02
                36            37            38            39            40 
      1  -0.254828D+02  0.166207D+00  0.986904D+01 -0.105702D+02  0.291010D+02
      2  -0.344124D+02 -0.103400D+02 -0.177555D+02 -0.146989D+02 -0.172396D+02
      3   0.598952D+02  0.101738D+02  0.788641D+01  0.252691D+02 -0.118614D+02
      4   0.104275D+02 -0.364877D+01  0.874285D+01  0.288659D+01 -0.347901D+02
      5   0.193974D+02  0.444201D+00  0.120893D+02  0.264994D+01  0.196045D+02
      6   0.226059D+02  0.404587D+01  0.524033D+00  0.292695D+01 -0.233568D+02
                41            42            43            44            45 
      1  -0.128290D+02  0.156304D+02 -0.253368D+02  0.970186D+01 -0.537271D+02
      2   0.134969D+01  0.167734D+02 -0.233747D+00  0.125441D+01 -0.168439D+02
      3   0.114793D+02 -0.324038D+02  0.255706D+02 -0.109563D+02  0.705709D+02
      4   0.133943D+02 -0.174142D+02 -0.358676D+02  0.259035D+02 -0.283254D+02
      5  -0.234440D+02 -0.618856D+01  0.810228D+01 -0.269580D+02  0.176385D+02
      6   0.197246D+02  0.507098D+01 -0.426830D+02  0.448301D+02 -0.568295D+02
                46            47            48            49            50 
      1   0.251749D+02 -0.216588D+01  0.102331D+02 -0.488968D+01  0.151920D+01
      2  -0.478458D+02  0.809101D+01 -0.393868D+02 -0.200390D+01 -0.261161D+01
      3   0.226709D+02 -0.592513D+01  0.291537D+02  0.689358D+01  0.109240D+01
      4  -0.268946D+02  0.990103D+01 -0.208729D+02  0.993358D+01 -0.370648D+01
      5   0.689151D+02 -0.135866D+02  0.581409D+02 -0.240781D+01  0.686574D+01
      6  -0.274711D+02  0.107995D+02 -0.261231D+02  0.723974D+01 -0.353606D+01
                51            52            53            54            55 
      1  -0.496584D+01  0.139002D+02 -0.105837D+01  0.761182D+01  0.225651D+02
      2  -0.713093D+01 -0.390456D+02  0.302515D+01 -0.375198D+02 -0.740305D+01
      3   0.120968D+02  0.251454D+02 -0.196677D+01  0.299080D+02 -0.151620D+02
      4   0.627717D+01 -0.131034D+02  0.423636D+01 -0.116895D+02  0.166376D+02
      5   0.239498D+01  0.511591D+02 -0.590400D+01  0.488695D+02 -0.942088D+00
      6   0.379825D+01 -0.154346D+02  0.509778D+01 -0.147115D+02  0.169102D+02
                56            57            58            59            60 
      1  -0.291645D+00  0.165469D+02  0.871951D+01 -0.220751D+02  0.207678D+02
      2   0.108034D+01 -0.677899D+01  0.275473D+02  0.111721D+01  0.866990D+01
      3  -0.788699D+00 -0.976792D+01 -0.362668D+02  0.209579D+02 -0.294377D+02
      4  -0.173777D+02  0.172545D+02  0.127978D+02 -0.295333D+01  0.303067D+02
      5   0.136745D+02  0.499480D+01 -0.292827D+02  0.235455D+02 -0.252458D+02
      6  -0.230360D+02  0.114805D+02  0.345608D+02 -0.396701D+02  0.476903D+02
                61            62            63            64            65 
      1  -0.103112D+02  0.176356D+02  0.186034D+02  0.123346D+02 -0.433773D+01
      2   0.326218D+02 -0.236189D+02  0.187532D+02  0.126291D+02 -0.177715D+02
      3  -0.223106D+02  0.598335D+01 -0.373566D+02 -0.249636D+02  0.221092D+02
      4   0.405698D+02 -0.231093D+01  0.203382D+02 -0.487714D+02  0.451326D+02
      5  -0.233212D+02  0.205721D+02 -0.131616D+02  0.158559D+02 -0.140907D+02
      6   0.303583D+02 -0.265496D+01  0.201821D+02 -0.213930D+02  0.230209D+02
                66            67            68            69            70 
      1   0.602409D-01 -0.571074D+01 -0.180443D+01  0.122406D+01  0.232980D+01
      2   0.283246D+01 -0.222278D+02  0.328545D+02 -0.495261D+01 -0.418079D+01
      3  -0.289270D+01  0.279386D+02 -0.310501D+02  0.372855D+01  0.185099D+01
      4  -0.107824D+02  0.471282D+02 -0.507650D+02  0.672522D+01 -0.416522D+00
      5   0.732999D+01 -0.993316D+01  0.102733D+02 -0.445101D+01  0.629372D+01
      6  -0.938356D+01  0.189492D+02 -0.237164D+02  0.693614D+01 -0.524566D+01
                71            72            73            74            75 
      1  -0.217779D+01 -0.280413D+00 -0.327240D+02  0.249761D+01 -0.308355D+02
      2   0.762153D+01  0.257440D+01 -0.215432D+02  0.656783D+01 -0.273450D+02
      3  -0.544373D+01 -0.229399D+01  0.542672D+02 -0.906544D+01  0.581805D+02
      4  -0.348698D+01 -0.573281D+01 -0.472847D+02  0.181497D+02 -0.355625D+02
      5  -0.468203D+01  0.217882D+01  0.220454D+02 -0.186453D+02  0.227660D+02
      6   0.353971D+01 -0.268231D+01 -0.398357D+02  0.755978D+01 -0.356306D+02
                76            77            78            79            80 
      1   0.459682D+02 -0.344286D+02  0.344363D+02 -0.239839D+00 -0.440923D+01
      2   0.423114D+02  0.323469D+02  0.828241D+02  0.107806D+02  0.865255D+01
      3  -0.882796D+02  0.208167D+01 -0.117260D+03 -0.105408D+02 -0.424332D+01
      4   0.493622D+02 -0.341156D+02  0.463248D+02 -0.199506D+00 -0.784603D+01
      5  -0.478463D+02  0.594868D+01 -0.472083D+02 -0.675540D+01 -0.536377D+01
      6   0.597652D+02 -0.148846D+02  0.708365D+02  0.444829D+01  0.111471D+02
                81            82            83            84            85 
      1  -0.395397D+01 -0.702556D+02  0.120764D+03 -0.220567D+02 -0.196804D+02
      2   0.341448D+02  0.392494D+01 -0.102664D+03 -0.321717D+02 -0.105820D+02
      3  -0.301908D+02  0.663306D+02 -0.180997D+02  0.542284D+02  0.302624D+02
      4   0.713707D+00 -0.455708D+02  0.252093D+02 -0.237084D+02 -0.257037D+02
      5  -0.200700D+02  0.169380D+02 -0.145416D+01  0.309614D+02  0.134373D+02
      6   0.101588D+02 -0.245456D+02 -0.657098D+01 -0.530299D+02 -0.105321D+02
                86            87            88            89            90 
      1  -0.135736D+02 -0.390648D+00 -0.567606D+02  0.105273D+03 -0.424551D+02
      2   0.197089D+02 -0.459067D+02  0.452295D+01 -0.113733D+03 -0.184134D+02
      3  -0.613527D+01  0.462974D+02  0.522376D+02  0.846082D+01  0.608685D+02
      4   0.333692D+02 -0.705470D+01 -0.179908D+02  0.148612D+02 -0.297721D+02
      5  -0.151849D+01  0.208214D+02  0.321655D+02 -0.655845D+01  0.273229D+02
      6  -0.164757D+02 -0.120072D+02 -0.475766D+02  0.427114D+02 -0.605092D+02
                91            92            93            94            95 
      1   0.679112D+02 -0.258954D+02  0.450367D+02 -0.129759D+02  0.802531D+01
      2   0.271507D+02  0.148786D+02  0.554608D+02 -0.452180D+02 -0.103037D+02
      3  -0.950618D+02  0.110169D+02 -0.100498D+03  0.581939D+02  0.227838D+01
      4   0.669351D+02 -0.310517D+02  0.522837D+02 -0.315202D+02  0.653862D+01
      5  -0.391567D+02  0.713344D+01 -0.347427D+02  0.305903D+02 -0.983521D+01
      6   0.616603D+02 -0.144105D+02  0.680929D+02 -0.453371D+02  0.550603D+01
                96            97            98            99           100 
      1  -0.117922D+02  0.225963D+02 -0.755384D+01  0.203839D+02 -0.272659D+02
      2  -0.616745D+02 -0.932573D+01  0.341615D+01 -0.349769D+01 -0.233748D+02
      3   0.734667D+02 -0.132706D+02  0.413769D+01 -0.168862D+02  0.506407D+02
      4  -0.395225D+02  0.166182D+02 -0.257190D+02  0.110256D+02 -0.388477D+02
      5   0.391731D+02 -0.120330D+01 -0.514195D+01 -0.245342D+01  0.522543D+01
      6  -0.491186D+02  0.809447D+01 -0.445394D+01  0.858905D+01 -0.312038D+02
               101           102           103           104           105 
      1  -0.318590D+02 -0.216750D+02 -0.129808D+03  0.199906D+03 -0.856342D+02
      2   0.220804D+02 -0.281599D+02  0.540184D+02 -0.154330D+03  0.326778D+02
      3   0.977860D+01  0.498349D+02  0.757891D+02 -0.455757D+02  0.529564D+02
      4   0.355499D+02 -0.301108D+02 -0.533069D+02 -0.802764D+01 -0.449924D+02
      5   0.124967D+02  0.160630D+02  0.796785D+01 -0.453975D+02  0.290610D+01
      6   0.604665D+01 -0.305947D+02 -0.593197D+02  0.220181D+02 -0.346280D+02
               106           107           108           109           110 
      1  -0.869163D+02  0.782965D+02 -0.526456D+02 -0.172844D+02  0.588438D+02
      2   0.205075D+02 -0.509571D+02 -0.732210D+01  0.574695D+02 -0.653077D+02
      3   0.664088D+02 -0.273394D+02  0.599677D+02 -0.401851D+02  0.646398D+01
      4  -0.439132D+02  0.101174D+02 -0.361360D+02  0.523118D+02  0.228243D+02
      5   0.893517D+01 -0.191104D+02  0.180720D+01  0.579902D+01  0.114601D+02
      6  -0.450039D+02  0.124201D+02 -0.410887D+02  0.359600D+02 -0.119885D+02
               111           112           113           114           115 
      1   0.257345D+02  0.154880D+03 -0.229081D+03  0.100667D+03  0.608071D+02
      2   0.122663D+02 -0.633247D+02  0.174707D+03 -0.244336D+02 -0.466846D+01
      3  -0.380008D+02 -0.915553D+02  0.543738D+02 -0.762329D+02 -0.561387D+02
      4   0.422111D+02  0.596845D+02 -0.162662D+02  0.416148D+02  0.401158D+02
      5   0.168727D+01 -0.138611D+02  0.524445D+02 -0.782079D+01 -0.565799D+01
      6   0.252650D+02  0.622330D+02 -0.309948D+02  0.414840D+02  0.446399D+02
               116           117           118           119           120 
      1  -0.634590D+02  0.386539D+02  0.117755D+03 -0.195378D+03  0.657313D+02
      2   0.245360D+02  0.372968D+01 -0.518493D+02  0.188074D+03 -0.881327D+01
      3   0.389230D+02 -0.423836D+02 -0.659056D+02  0.730340D+01 -0.569180D+02
      4  -0.159211D+02  0.429214D+02  0.533578D+02 -0.532303D+02  0.190086D+02
      5   0.371139D+02 -0.673815D+01 -0.251584D+02  0.126665D+02 -0.235130D+02
      6  -0.227196D+01  0.402930D+02  0.308141D+02 -0.455163D+02  0.301016D+02
               121           122           123           124           125 
      1  -0.614879D+02  0.948594D+02 -0.253679D+02  0.599290D+02 -0.643689D+02
      2   0.498317D+02 -0.596522D+02  0.116554D+02 -0.398275D+02  0.515765D+02
      3   0.116562D+02 -0.352072D+02  0.137124D+02 -0.201015D+02  0.127924D+02
      4   0.950925D+01  0.265339D+02 -0.331814D+01  0.182059D+02 -0.454380D+02
      5   0.642293D+01 -0.222004D+02  0.638465D+01 -0.342704D+01  0.231804D+01
      6  -0.142705D+02 -0.802694D+01 -0.164874D+02  0.247685D+02 -0.110730D+02
               126           127           128           129           130 
      1   0.175364D+02 -0.131342D+03  0.163078D+03 -0.525314D+02 -0.595821D+01
      2   0.247098D+01  0.798329D+02 -0.640924D+02  0.344966D+02  0.316956D+01
      3  -0.200073D+02  0.515091D+02 -0.989856D+02  0.180348D+02  0.278866D+01
      4   0.100452D+02 -0.118543D+02 -0.142111D+03 -0.214642D+01 -0.708919D+01
      5  -0.221989D+02 -0.161255D+02 -0.120007D+03  0.336121D+01 -0.213131D+02
      6   0.561388D+02 -0.213137D+02  0.104616D+02 -0.846765D+01  0.157133D+02
               131           132           133           134           135 
      1  -0.814872D+02  0.152100D+02 -0.330460D+02  0.210419D+02 -0.136488D+02
      2   0.988641D+02 -0.257840D+02  0.273610D+02  0.133392D+02  0.505903D+01
      3  -0.173769D+02  0.105740D+02  0.568499D+01 -0.343811D+02  0.858978D+01
      4  -0.671876D+02  0.125163D+02  0.642657D+01 -0.594909D+02  0.310978D+01
      5  -0.521886D+02  0.724046D+01 -0.191852D+02 -0.503109D+02 -0.631052D+01
      6  -0.343128D+01 -0.542434D+01 -0.388490D+00  0.288725D+01  0.168057D+01
               136           137           138           139           140 
      1   0.151328D+03 -0.165515D+03  0.564454D+02 -0.303216D+02  0.731949D+02
      2  -0.798410D+02  0.589612D+02 -0.220998D+02  0.241155D+02 -0.107640D+03
      3  -0.714868D+02  0.106554D+03 -0.343456D+02  0.620606D+01  0.344451D+02
      4  -0.753456D+00  0.131910D+03 -0.865199D+01  0.499867D+02  0.778227D+02
      5   0.161665D+02  0.127777D+03 -0.132937D+02  0.223857D+02  0.597843D+02
      6   0.162053D+02 -0.868775D+01  0.112627D+02  0.173520D+02 -0.453232D+01
               141           142           143           144           145 
      1  -0.616222D+01  0.109709D+02 -0.321943D+02  0.243702D+02  0.358136D+02
      2   0.103518D+02 -0.100600D+02 -0.562282D+01 -0.248016D+02  0.988158D+01
      3  -0.418953D+01 -0.910890D+00  0.378171D+02  0.431411D+00 -0.456952D+02
      4   0.153541D+02  0.600883D+01  0.583355D+02  0.102446D+02  0.661662D+02
      5   0.386322D+01  0.370071D+02  0.618427D+02  0.106445D+02 -0.147130D+02
      6   0.622434D+01  0.177656D+02 -0.231668D+01 -0.335895D+00  0.227903D+02
               146           147           148           149           150 
      1  -0.312955D+02  0.721537D+01 -0.159256D+02  0.210137D+02 -0.371050D+02
      2   0.121287D+02  0.303270D+00 -0.146440D+02  0.633774D+02  0.210918D+02
      3   0.191668D+02 -0.751864D+01  0.305696D+02 -0.843911D+02  0.160132D+02
      4   0.638096D+02  0.290847D+02 -0.682008D+02 -0.133724D+03 -0.395207D+02
      5   0.264738D+02  0.132314D+02 -0.414199D+02 -0.109926D+03 -0.226189D+02
      6   0.988230D+01  0.263074D+02 -0.518267D+02  0.110648D+01 -0.337837D+02
               151           152           153           154           155 
      1  -0.251528D+02 -0.196353D+02  0.473896D+01 -0.477635D+02  0.185200D+02
      2  -0.141324D+02  0.300893D+02 -0.240728D+02 -0.188642D+02  0.567105D+02
      3   0.392852D+02 -0.104539D+02  0.193339D+02  0.666277D+02 -0.752306D+02
      4  -0.405777D+02 -0.288788D+02  0.845609D+01 -0.803755D+02 -0.443744D+02
      5   0.238761D+02 -0.236677D+02  0.289343D+02 -0.155706D+02 -0.716020D+02
      6   0.937681D+01  0.542825D+01  0.101783D+02 -0.583245D+02  0.368983D+01
               156           157           158           159           160 
      1  -0.455849D+02  0.659900D+02 -0.104923D+02  0.430572D+02  0.121323D+00
      2   0.942501D+01 -0.217092D+02 -0.952382D+01 -0.316941D+02 -0.289064D+02
      3   0.361598D+02 -0.442808D+02  0.200161D+02 -0.113631D+02  0.287851D+02
      4  -0.629059D+02  0.819186D+02  0.892225D+02  0.151893D+02 -0.283523D+02
      5  -0.209980D+02  0.231741D+02  0.430303D+02  0.156578D+02  0.132722D+02
      6  -0.472614D+02  0.215241D+02 -0.174250D+02  0.150657D+02 -0.130956D+02
               161           162           163           164           165 
      1  -0.121794D+02 -0.275410D+02 -0.975141D+02 -0.744669D+02  0.170235D+01
      2  -0.167424D+02 -0.128245D+02  0.649415D+02  0.961698D+02 -0.391790D+00
      3   0.289218D+02  0.403654D+02  0.325725D+02 -0.217029D+02 -0.131056D+01
      4  -0.248348D+02 -0.740195D+00  0.733707D+02 -0.205244D+01 -0.145848D+02
      5   0.166548D+02  0.195464D+02 -0.563949D+02 -0.734396D+02  0.307523D+01
      6   0.263877D+02  0.371584D+01 -0.751173D+01  0.320106D+02 -0.150604D+00
               166           167           168           169           170 
      1   0.695437D+02  0.617831D+02 -0.165737D+01  0.265124D+02  0.109391D+02
      2  -0.476550D+02 -0.125531D+03  0.979714D+01 -0.191626D+02 -0.276984D+02
      3  -0.218886D+02  0.637479D+02 -0.813978D+01 -0.734986D+01  0.167593D+02
      4  -0.135988D+02  0.108895D+03 -0.103532D+02  0.123732D+01  0.351780D+02
      5   0.481792D+02  0.105076D+03 -0.997011D+01  0.663366D+01  0.369584D+02
      6  -0.129955D+02 -0.184470D+02  0.376921D-01  0.108185D+01 -0.568490D+01
               171           172           173           174           175 
      1  -0.605620D+01  0.114907D+03  0.251112D+02 -0.927765D+01 -0.588156D+02
      2  -0.164138D+01 -0.674270D+02 -0.459202D+02  0.135365D+02  0.448759D+02
      3   0.769757D+01 -0.474801D+02  0.208090D+02 -0.425880D+01  0.139397D+02
      4   0.944847D+00 -0.888267D+02 -0.138223D+02 -0.691446D+00  0.551959D+01
      5   0.137258D+01  0.532912D+02  0.656411D+02 -0.129447D+02 -0.691143D+02
      6  -0.619840D+00 -0.122894D+02 -0.164397D+02 -0.692358D+00  0.222836D+01
               176           177           178           179           180 
      1  -0.905174D+02 -0.280390D+01 -0.386702D+01 -0.164405D+02 -0.495443D+00
      2   0.172008D+03  0.415349D+01  0.125112D+02  0.402791D+02 -0.358643D+00
      3  -0.814910D+02 -0.134959D+01 -0.864422D+01 -0.238387D+02  0.854087D+00
      4  -0.113294D+03 -0.105952D+01 -0.574174D+01 -0.240455D+02 -0.175855D+02
      5  -0.142542D+03  0.863274D+01  0.115469D+01 -0.503141D+02 -0.878436D+01
      6   0.497652D+02 -0.126503D+01 -0.142458D+02  0.275982D+02 -0.137975D+01
               181           182           183           184           185 
      1  -0.626233D+02  0.106311D+02  0.618979D+01 -0.168623D+03  0.584648D+02
      2   0.289719D+02 -0.134216D+02 -0.741218D+01  0.115340D+03 -0.364287D+02
      3   0.336514D+02  0.279046D+01  0.122239D+01  0.532830D+02 -0.220361D+02
      4   0.626752D+02  0.285850D+02  0.885326D+01  0.588920D+02 -0.273730D+02
      5  -0.320951D+02 -0.188178D+02  0.134688D+02 -0.405088D+02 -0.340837D+02
      6   0.145304D+02 -0.739547D+00 -0.303583D+01  0.242865D+02 -0.670656D+01
               186           187           188           189           190 
      1  -0.219326D+02 -0.830198D+02  0.363732D+02  0.182918D+02  0.582304D+01
      2   0.954280D+01  0.563524D+02 -0.317004D+02 -0.151147D+02 -0.845565D+01
      3   0.123898D+02  0.266674D+02 -0.467276D+01 -0.317711D+01  0.263261D+01
      4   0.334060D+02  0.178828D+02  0.160977D+02 -0.190967D+02 -0.134679D+02
      5  -0.149404D+02  0.340659D+02 -0.594595D+02 -0.127946D+02 -0.143778D+02
      6   0.126302D+02 -0.767365D+01  0.204245D+02 -0.344212D+01 -0.162153D+01
               191           192           193           194           195 
      1   0.524028D+02 -0.303019D+02  0.185857D+03 -0.139980D+03  0.885213D+01
      2  -0.466347D+02  0.166236D+02 -0.110079D+03  0.949962D+02  0.514630D+01
      3  -0.576811D+01  0.136783D+02 -0.757776D+02  0.449841D+02 -0.139984D+02
      4   0.222017D+02  0.304605D+01 -0.881562D+02  0.538257D+02 -0.267837D+02
      5  -0.236212D+01  0.144693D+02 -0.146472D+02  0.605435D+02 -0.683069D+00
      6  -0.156264D+01  0.853017D+00 -0.114811D+02  0.168672D+01 -0.204907D+01
               196           197           198           199           200 
      1   0.145231D+02 -0.426705D+02  0.266302D+02  0.537980D+02  0.430332D+02
      2  -0.150219D+02  0.260361D+02 -0.261146D+02 -0.518962D+02 -0.434194D+02
      3   0.498813D+00  0.166344D+02 -0.515574D+00 -0.190178D+01  0.386224D+00
      4  -0.526842D+02  0.963635D+01 -0.130074D+02 -0.421705D+02 -0.330297D+02
      5   0.550000D+02  0.271838D+02  0.230624D+02  0.205024D+02  0.319590D+02
      6  -0.168622D+02  0.255620D+00 -0.129530D+02  0.475144D+01 -0.198611D+02
               201           202           203           204           205 
      1  -0.762682D+01 -0.768093D+01  0.267930D+02  0.115124D+02 -0.351218D-01
      2   0.112561D+01  0.267013D+02 -0.394641D+02 -0.217027D+02  0.124311D+02
      3   0.650121D+01 -0.190203D+02  0.126711D+02  0.101903D+02 -0.123960D+02
      4   0.115651D+02 -0.133534D+03 -0.375703D+02  0.324099D+02 -0.528896D+02
      5   0.386527D+01  0.599515D+02  0.169469D+02 -0.130492D+02  0.283254D+02
      6  -0.521337D+01  0.246345D+02 -0.839690D+01 -0.570852D+01  0.120652D+02
               206           207           208           209           210 
      1   0.275247D+01  0.618814D+01  0.365583D+01  0.125115D+03  0.195295D+02
      2  -0.755462D+01 -0.129524D+02 -0.656126D+01 -0.174070D+03 -0.104839D+02
      3   0.480215D+01  0.676422D+01  0.290544D+01  0.489551D+02 -0.904559D+01
      4  -0.868449D+01  0.113451D+02 -0.541680D+02  0.470412D+02  0.227486D+02
      5   0.110946D+02 -0.192580D+01  0.659591D+02  0.841171D+02  0.644466D+01
      6  -0.321074D+01 -0.536658D+01  0.605082D+01 -0.468144D+02 -0.289674D+02
               211           212           213           214           215 
      1   0.199884D+02  0.697671D+02  0.378250D+01 -0.390704D+01  0.221344D+02
      2  -0.301999D+02 -0.127050D+03 -0.367230D+01  0.188392D+02 -0.478660D+02
      3   0.102115D+02  0.572833D+02 -0.110197D+00 -0.149322D+02  0.257316D+02
      4   0.311252D+01  0.673144D+02  0.196619D+02 -0.344797D+01  0.296241D+02
      5   0.382447D+02  0.107815D+03 -0.220236D+01  0.394166D+02  0.175880D+02
      6   0.144727D+02 -0.504837D+02 -0.392598D+01 -0.389198D+02  0.680279D+01
               216           217           218           219           220 
      1  -0.679254D+01  0.242866D+02 -0.861344D+02 -0.171712D+02 -0.242381D+02
      2   0.746266D+00 -0.351254D+02  0.131795D+03  0.151332D+02  0.228890D+02
      3   0.604628D+01  0.108388D+02 -0.456607D+02  0.203796D+01  0.134911D+01
      4  -0.280971D+02  0.120986D+03 -0.538963D+02 -0.449469D+02 -0.643440D+01
      5  -0.120815D+02 -0.801721D+02 -0.897694D+02  0.825340D+00  0.160541D+02
      6   0.120365D+02 -0.230948D+02  0.396469D+02  0.267184D+02  0.115310D+01
               221           222           223           224           225 
      1  -0.284464D+02  0.178729D+02 -0.133732D+02  0.495116D+01 -0.253397D+02
      2   0.470159D+02 -0.281356D+02  0.652213D+01 -0.340035D+02  0.148938D+02
      3  -0.185695D+02  0.102627D+02  0.685105D+01  0.290524D+02  0.104459D+02
      4  -0.457177D+02  0.522796D+01 -0.845118D+01 -0.504392D+01 -0.577804D+00
      5  -0.141160D+02 -0.728063D+01  0.680851D+01 -0.210380D+02 -0.144071D+02
      6  -0.188782D+02  0.453171D+01  0.171131D+02  0.531248D+02  0.175685D+02
               226           227           228           229           230 
      1  -0.696303D+02 -0.276657D+00  0.132731D+02  0.166623D+02 -0.375119D+02
      2   0.632066D+02  0.313311D+01 -0.143084D+02 -0.346238D+02  0.600371D+02
      3   0.642376D+01 -0.285645D+01  0.103531D+01  0.179614D+02 -0.225252D+02
      4  -0.241590D+02  0.274298D+02  0.225632D+02  0.136826D+03  0.440953D+02
      5   0.233784D+02  0.673272D+01 -0.101177D+02 -0.759405D+02 -0.304504D+02
      6   0.124850D+02  0.114909D+01 -0.467718D+01 -0.272467D+02  0.124909D+02
               231           232           233           234           235 
      1  -0.857337D+01  0.123702D+02 -0.210962D+01 -0.208562D+02  0.551510D+02
      2   0.277914D+02 -0.176870D+02  0.614731D+01  0.195073D+02 -0.466402D+02
      3  -0.192180D+02  0.531683D+01 -0.403769D+01  0.134889D+01 -0.851079D+01
      4  -0.349535D+02  0.464223D+02  0.136042D+02 -0.130660D+02 -0.360420D+02
      5   0.165246D+02 -0.309762D+02 -0.802402D+01  0.112688D+02 -0.429752D+01
      6   0.718147D+01 -0.108331D+02  0.175804D+02  0.814145D+01 -0.373915D-01
               236           237           238           239           240 
      1   0.525806D+01 -0.160457D+02 -0.634848D+01  0.451527D+01  0.177740D+02
      2  -0.256470D+02  0.876304D+01  0.111153D+02  0.290281D+01 -0.242750D+02
      3   0.203889D+02  0.728271D+01 -0.476678D+01 -0.741808D+01  0.650106D+01
      4  -0.673448D+02 -0.109583D+02  0.383704D+02  0.226691D+02 -0.120706D+02
      5  -0.138647D+01 -0.304599D+01  0.265448D+01 -0.129966D+02  0.717866D+00
      6   0.715870D+01 -0.120611D+00 -0.890323D+01 -0.268688D+02  0.617400D+01
               241           242           243           244           245 
      1  -0.107512D+02  0.209034D+02 -0.801646D+01 -0.716768D+01 -0.321601D+02
      2   0.775512D+01 -0.255254D+02  0.746401D+01 -0.289159D+01  0.473825D+02
      3   0.299610D+01  0.462199D+01  0.552449D+00  0.100593D+02 -0.152224D+02
      4   0.304519D+02  0.140101D+02  0.145214D+02  0.405274D+02  0.501134D+02
      5   0.992161D+01  0.986614D+01  0.106166D+02 -0.222006D+02  0.212242D+00
      6   0.101075D+02  0.224158D+02  0.124154D+02 -0.160894D+01  0.301842D+01
               246           247           248           249           250 
      1  -0.676919D+01  0.545197D+02 -0.159541D+02 -0.252276D+02  0.425486D+02
      2   0.111472D+02 -0.606870D+02 -0.739695D+00  0.219935D+02 -0.404863D+02
      3  -0.437798D+01  0.616727D+01  0.166938D+02  0.323405D+01 -0.206225D+01
      4   0.270420D+01 -0.150845D+02 -0.438965D+02 -0.256760D+02 -0.206915D+02
      5   0.247684D+02 -0.496646D+02 -0.968199D+01  0.104358D+02  0.157230D+02
      6   0.145688D+02 -0.256845D+02 -0.545487D+01  0.569530D+01  0.183088D+02
               251           252           253           254           255 
      1   0.515297D+01 -0.906344D+01  0.205220D+02  0.236556D+02 -0.853826D+01
      2  -0.187152D+02  0.335576D+01 -0.267583D+02  0.439296D+01  0.868114D+01
      3   0.135622D+02  0.570768D+01  0.623628D+01 -0.280486D+02 -0.142876D+00
      4  -0.434927D+02  0.141379D+02  0.799431D+02  0.184699D+02 -0.128675D+02
      5   0.979320D+01 -0.968266D+01 -0.313674D+02 -0.665185D+01  0.969363D+00
      6   0.191570D+02 -0.104742D+02 -0.601878D+01  0.839274D+01  0.509858D+01
               256           257           258           259           260 
      1  -0.276672D+02  0.842295D+01  0.106001D+02 -0.793604D+01 -0.395056D+01
      2   0.368400D+02  0.345740D+01 -0.105309D+01  0.153839D+02  0.603948D+01
      3  -0.917274D+01 -0.118803D+02 -0.954702D+01 -0.744783D+01 -0.208892D+01
      4  -0.124429D+02  0.396790D+02  0.158462D+02 -0.239786D+02  0.829519D+01
      5   0.111047D+02  0.825508D+01  0.932859D+01  0.189722D+02  0.108091D+02
      6   0.148981D+02 -0.247511D+00 -0.373036D+01  0.200206D+02  0.407693D+01
               261           262           263           264           265 
      1   0.653285D+01 -0.513491D+02 -0.142978D+02  0.171240D+02 -0.140085D+02
      2  -0.802142D+01  0.604978D+02 -0.675465D+01 -0.269468D+02  0.968370D+01
      3   0.148857D+01 -0.914875D+01  0.210525D+02  0.982276D+01  0.432478D+01
      4   0.163763D+02 -0.750550D+02 -0.177551D+02  0.985777D+01  0.961427D+01
      5  -0.330216D+01  0.538342D+02 -0.903206D+01 -0.184183D+02  0.171629D+02
      6  -0.135113D+02  0.788203D+01  0.166448D+01 -0.358315D+01 -0.298690D+01
               266           267           268           269           270 
      1   0.779340D+01  0.744653D+01  0.304468D+00  0.104104D+02 -0.115912D+02
      2  -0.143687D+02 -0.841111D+01 -0.152421D+01 -0.307561D+01 -0.105178D+02
      3   0.657535D+01  0.964575D+00  0.121974D+01 -0.733482D+01  0.221089D+02
      4  -0.140040D+02  0.407035D+00  0.130034D+02  0.785071D+01 -0.967645D+01
      5   0.263046D+01 -0.108921D+02  0.267094D+01 -0.104161D+02  0.398523D+00
      6  -0.696294D+01  0.589718D+00 -0.298051D+01  0.220368D+01 -0.983672D+01
               271           272           273           274           275 
      1  -0.101445D+02  0.229045D+02 -0.157775D+01  0.165548D+02 -0.386898D+02
      2   0.319409D+02 -0.541046D+02 -0.244925D+00 -0.383088D+02  0.825632D+02
      3  -0.217965D+02  0.312001D+02  0.182267D+01  0.217539D+02 -0.438734D+02
      4  -0.331058D+02  0.463011D+02  0.185163D+01  0.315110D+02 -0.515274D+02
      5  -0.265696D+01  0.387974D+01  0.310308D+01  0.565763D+01 -0.817291D+01
      6  -0.336136D+01  0.612823D+01 -0.641053D+01 -0.374626D+01  0.345137D+01
               276           277           278           279           280 
      1  -0.452979D+01  0.187779D+01 -0.948986D+01 -0.258031D+01 -0.243210D+01
      2   0.672069D+01 -0.639506D+01  0.159620D+02  0.232987D+01  0.573405D+01
      3  -0.219090D+01  0.451727D+01 -0.647218D+01  0.250435D+00 -0.330195D+01
      4  -0.538305D+01 -0.393638D+01 -0.802639D-01 -0.653477D+01  0.720284D+01
      5  -0.242857D+01  0.302453D+01 -0.432828D+01  0.820222D-01  0.121983D+01
      6   0.468915D+01 -0.519476D+01  0.699760D+01  0.146580D+01  0.836931D+01
               281           282           283           284           285 
      1  -0.864028D+01 -0.406568D+01 -0.725300D+01 -0.621868D+02 -0.307766D+02
      2   0.115750D+02  0.553963D+01  0.990293D+01  0.974474D+02  0.410447D+02
      3  -0.293476D+01 -0.147394D+01 -0.264992D+01 -0.352606D+02 -0.102681D+02
      4   0.147094D+02  0.987038D+01  0.710899D+01  0.260216D+02  0.101434D+02
      5   0.445026D+01  0.278577D+01  0.170397D+01 -0.112017D+01 -0.140045D+00
      6   0.986267D+01  0.102909D+02  0.511713D+01  0.515994D+02  0.325203D+02
               286           287           288           289           290 
      1  -0.550986D+01 -0.335708D+02 -0.216914D+02  0.108049D+03  0.288293D+02
      2   0.117999D+02  0.474251D+02  0.271389D+02 -0.676563D+02 -0.160258D+02
      3  -0.629000D+01 -0.138543D+02 -0.544746D+01 -0.403924D+02 -0.128035D+02
      4   0.101159D+02  0.195635D+02  0.124998D+02  0.661044D+02  0.245540D+02
      5   0.174587D+01  0.213771D+01  0.341698D+01  0.592071D+02  0.150634D+02
      6   0.495820D+01  0.368753D+02  0.227310D+02  0.177634D+02  0.711142D+01
               291           292           293           294           295 
      1   0.396995D+02  0.642784D+01  0.150700D+02  0.445893D+01  0.389852D+02
      2  -0.292037D+02 -0.179335D+01 -0.516033D+01 -0.326267D+01 -0.228436D+02
      3  -0.104958D+02 -0.463449D+01 -0.990963D+01 -0.119626D+01 -0.161416D+02
      4   0.259789D+02  0.249970D+02  0.132581D+02  0.121090D+02  0.288399D+02
      5   0.331531D+02  0.124131D+02  0.584288D+01  0.857269D+01  0.249109D+02
      6   0.997031D+01  0.972820D+01  0.462512D+01  0.672733D+01  0.814931D+01
               296           297           298           299           300 
      1   0.763040D+01  0.167356D+02  0.725649D+00  0.550647D+01 -0.760650D+00
      2  -0.474668D+01 -0.116874D+02  0.455058D+01  0.112955D+01  0.130098D+01
      3  -0.288372D+01 -0.504820D+01 -0.527623D+01 -0.663601D+01 -0.540330D+00
      4   0.104623D+02  0.127956D+02  0.205743D+02  0.259392D+02  0.155580D+02
      5   0.105493D+02  0.149969D+02  0.991368D+01  0.132627D+02  0.109347D+02
      6   0.522895D+01  0.518652D+01  0.111237D+02  0.140026D+02  0.890914D+01
               301           302           303           304           305 
      1  -0.789512D+01 -0.355833D+02 -0.170754D+02 -0.680478D+01 -0.884405D+01
      2   0.198338D+02  0.550082D+02  0.218824D+02  0.941256D+01  0.223602D+02
      3  -0.119387D+02 -0.194249D+02 -0.480697D+01 -0.260778D+01 -0.135161D+02
      4   0.351860D+02  0.701518D+02  0.350526D+02  0.233746D+02  0.424294D+02
      5   0.127496D+02  0.277462D+02  0.171408D+02  0.123378D+02  0.143056D+02
      6   0.214588D+02  0.531820D+02  0.317192D+02  0.142502D+02  0.278787D+02
               306           307           308           309           310 
      1  -0.930597D+01  0.800892D+02 -0.452832D+02 -0.343373D+01 -0.440180D+02
      2   0.960568D+01 -0.299426D+02  0.146642D+02  0.196276D+01  0.713182D+01
      3  -0.299708D+00 -0.501466D+02  0.306190D+02  0.147097D+01  0.368861D+02
      4   0.211497D+02 -0.786124D+02  0.527699D+02  0.139071D+01  0.689346D+02
      5   0.133355D+02 -0.106237D+02  0.214897D+01  0.801882D+01  0.107034D+02
      6   0.213945D+02 -0.134495D+01  0.184593D+01 -0.362586D+01 -0.183605D+01
               311           312           313           314           315 
      1   0.323431D+02  0.444713D+01 -0.502408D+01  0.283693D+01  0.152526D+01
      2   0.411007D+00 -0.208563D+01  0.160613D+00  0.111025D+01 -0.493568D+00
      3  -0.327541D+02 -0.236150D+01  0.486346D+01 -0.394717D+01 -0.103170D+01
      4  -0.612246D+02 -0.556554D+01  0.120065D+02 -0.127298D+02 -0.295829D+01
      5  -0.133027D+02 -0.654148D+01  0.597595D+01  0.119764D+01 -0.127577D+01
      6   0.278716D+01  0.413737D+01 -0.215207D+01  0.649721D+00  0.232150D+01
               316           317           318           319           320 
      1   0.168300D+03  0.838360D+01  0.326486D+02  0.202994D+02  0.103084D+02
      2  -0.103975D+03 -0.529507D+01 -0.228415D+02 -0.138640D+02 -0.657290D+01
      3  -0.643254D+02 -0.308853D+01 -0.980712D+01 -0.643540D+01 -0.373549D+01
      4   0.622694D+00  0.642893D+01 -0.121236D+01  0.194462D+02  0.486620D+01
      5   0.448677D+02  0.142045D+01  0.198719D+02  0.114847D+02  0.886505D+01
      6  -0.672663D+01  0.850366D+00 -0.231460D+01  0.206048D+01 -0.820521D+00
               321           322           323           324           325 
      1   0.759685D+01  0.459298D+02  0.459261D+01  0.121372D+02  0.171972D+02
      2  -0.602303D+01 -0.307597D+02 -0.164534D+01 -0.896486D+01  0.142906D+02
      3  -0.157382D+01 -0.151700D+02 -0.294727D+01 -0.317235D+01 -0.314878D+02
      4   0.416681D+01  0.394652D+01  0.136140D+01  0.459708D+00 -0.704514D+02
      5   0.441313D+01  0.155817D+02 -0.433222D+01  0.747012D+01 -0.158071D+02
      6   0.132752D+01 -0.104108D+01  0.229935D+01  0.818433D+00  0.117071D+02
               326           327           328           329           330 
      1  -0.664414D+01 -0.298202D+01  0.465200D+01 -0.902117D+01 -0.236307D+01
      2  -0.231298D+02 -0.311176D+01 -0.287029D+02  0.427474D+02  0.812775D+01
      3   0.297739D+02  0.609379D+01  0.240509D+02 -0.337263D+02 -0.576468D+01
      4   0.647500D+02  0.167683D+02  0.533044D+02 -0.692878D+02 -0.175580D+02
      5   0.160791D+02  0.971457D+01  0.151411D+02 -0.140708D+02 -0.842825D+01
      6  -0.132945D+02 -0.812880D+01 -0.155014D+02  0.171628D+02  0.111332D+02
               331           332           333           334           335 
      1   0.178578D+00 -0.724194D+00  0.198251D+00 -0.732787D+01 -0.168339D+02
      2  -0.991443D+01  0.672801D+01  0.336948D+01  0.111639D+02  0.228252D+02
      3   0.973585D+01 -0.600382D+01 -0.356773D+01 -0.383605D+01 -0.599131D+01
      4   0.166133D+02 -0.173726D+02 -0.659875D+01  0.375197D+01  0.171900D+02
      5   0.475653D+01 -0.694722D+01 -0.390198D+01 -0.155771D+01  0.238220D+01
      6  -0.237286D+01  0.914646D+01  0.357482D+01  0.443454D+01  0.734213D+01
               336           337           338           339           340 
      1  -0.418050D+01 -0.283202D+01 -0.896783D+02 -0.248312D+02 -0.235443D+00
      2   0.509133D+01  0.284627D+01  0.133797D+03  0.324044D+02  0.225397D+01
      3  -0.910831D+00 -0.142522D-01 -0.441189D+02 -0.757324D+01 -0.201853D+01
      4   0.333686D+01  0.591246D+01 -0.137364D+02 -0.394438D+01 -0.327540D+00
      5   0.277532D+01  0.100021D+01 -0.672851D+01 -0.325823D+01  0.385378D+01
      6   0.332300D+01  0.237860D+01  0.514241D+02  0.222306D+02 -0.281815D+01
               341           342           343           344           345 
      1  -0.311806D+02 -0.966133D+01 -0.317092D+01 -0.669462D+01 -0.136238D+01
      2   0.462942D+02  0.122585D+02  0.120528D+02  0.191198D+02  0.380189D+01
      3  -0.151136D+02 -0.259713D+01 -0.888189D+01 -0.124252D+02 -0.243951D+01
      4  -0.820850D+01 -0.119503D+01  0.149563D+02  0.270600D+02  0.617026D+01
      5  -0.694241D+00 -0.302884D+00  0.183018D+01  0.534037D+01  0.413276D+01
      6   0.172022D+02  0.105879D+02  0.463567D+01  0.420205D+01  0.274385D+01
               346           347           348           349           350 
      1  -0.159995D+02 -0.599184D+02 -0.157475D+02 -0.371615D+01 -0.217625D+02
      2   0.302681D+02  0.102867D+03  0.235821D+02  0.634262D+01  0.330000D+02
      3  -0.142686D+02 -0.429489D+02 -0.783462D+01 -0.262647D+01 -0.112375D+02
      4   0.228098D+02  0.551416D+02  0.149890D+02  0.725130D+01  0.167332D+02
      5   0.665101D+01  0.143376D+02  0.596815D+01  0.169021D+01  0.516460D+01
      6   0.103327D+02  0.302446D+02  0.160946D+02  0.449687D+01  0.154417D+02
               351           352           353           354           355 
      1  -0.882856D+01  0.528978D+02  0.221687D+02 -0.150054D+01  0.111430D+02
      2   0.116152D+02 -0.139849D+02 -0.614072D+00  0.102445D+01  0.500095D+01
      3  -0.278659D+01 -0.389129D+02 -0.215546D+02  0.476094D+00 -0.161439D+02
      4   0.560876D+01  0.756661D+02  0.444910D+02 -0.232389D+01  0.335136D+02
      5   0.286962D+01 -0.384768D+01 -0.135859D+01  0.707428D+01  0.237966D+01
      6   0.841899D+01 -0.609651D+01 -0.376793D+01  0.463669D+01  0.108081D+01
               356           357           358           359           360 
      1   0.627828D+01  0.495602D+00 -0.371754D+01 -0.969734D+00  0.219607D+01
      2   0.717046D+01 -0.182793D+00  0.474333D+01  0.276946D+01 -0.356077D+00
      3  -0.134487D+02 -0.312809D+00 -0.102579D+01 -0.179973D+01 -0.184000D+01
      4   0.276648D+02  0.188514D+01  0.169238D+01  0.453740D+01  0.312355D+01
      5   0.159562D+01  0.227216D+01  0.225763D+01  0.195010D+01  0.204716D+01
      6  -0.116489D+01  0.189826D+01  0.560676D+00  0.152666D+01  0.117555D+01
               361           362           363           364           365 
      1   0.128125D+03 -0.154736D+02 -0.248599D+02 -0.838568D+01  0.194809D+02
      2  -0.756548D+02  0.805904D+01  0.186346D+02  0.294743D+01 -0.139312D+02
      3  -0.524699D+02  0.741454D+01  0.622523D+01  0.543825D+01 -0.554976D+01
      4  -0.164802D+02  0.296844D+02  0.773905D+01  0.698071D+02 -0.201007D+02
      5  -0.471844D+02  0.103418D+02  0.396941D+02  0.164573D+01 -0.268577D+02
      6   0.262560D+01 -0.905513D+01 -0.143244D+01 -0.255937D+02  0.587947D+01
               366           367           368           369           370 
      1  -0.321636D-01  0.689193D+01  0.209583D+01  0.321867D+01 -0.407728D+01
      2  -0.431935D+01  0.202800D+02 -0.379332D+01 -0.468033D+02  0.268201D+01
      3   0.435151D+01 -0.271720D+02  0.169749D+01  0.435846D+02  0.139528D+01
      4  -0.273505D+02  0.120383D+02 -0.115467D+02 -0.375708D+01 -0.176383D+01
      5  -0.107683D+02  0.632045D+02 -0.122782D+02 -0.557769D+02  0.476310D+01
      6   0.250126D+02 -0.125527D+01  0.158956D+02 -0.395415D+01  0.527355D+00
               371           372           373           374           375 
      1  -0.112102D+01  0.116202D+01 -0.416618D+01 -0.555090D+01 -0.149355D+01
      2  -0.124178D+01 -0.198222D+01  0.304879D+01 -0.168868D+01 -0.394326D+01
      3   0.236280D+01  0.820195D+00  0.111739D+01  0.723958D+01  0.543681D+01
      4  -0.810307D+00  0.704553D+00 -0.381458D+00 -0.260869D+01 -0.125312D+01
      5   0.397798D+01 -0.171268D+01  0.356009D+01  0.376479D+01 -0.281351D+01
      6  -0.914396D+00 -0.423227D+00 -0.126393D+00  0.112171D+01  0.102622D+01
               376           377           378 
      1  -0.745025D+00 -0.624665D+00 -0.358582D+01
      2   0.101558D+01 -0.292253D+01 -0.161677D+01
      3  -0.270551D+00  0.354719D+01  0.520259D+01
      4   0.843300D+00 -0.149613D+01 -0.598299D+00
      5   0.146469D+01 -0.111872D+00 -0.699820D+00
      6  -0.856323D+00  0.106379D+01  0.241819D+01

 ----------------------------------------------------------------------

 Electric dipole moment (input orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.671122D+00      0.170582D+01      0.569001D+01
   x         -0.557213D+00     -0.141629D+01     -0.472425D+01
   y          0.219256D+00      0.557294D+00      0.185893D+01
   z          0.303060D+00      0.770301D+00      0.256945D+01

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.334585D+03      0.495804D+02      0.551657D+02
   aniso      0.203899D+03      0.302147D+02      0.336184D+02
   xx         0.408147D+03      0.604811D+02      0.672943D+02
   yx        -0.187080D+02     -0.277224D+01     -0.308454D+01
   yy         0.373843D+03      0.553977D+02      0.616383D+02
   zx         0.412699D+02      0.611557D+01      0.680449D+01
   zy         0.443260D+02      0.656844D+01      0.730837D+01
   zz         0.221767D+03      0.328624D+02      0.365644D+02

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  532.0nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.390210D+03      0.578232D+02      0.643370D+02
   aniso      0.239099D+03      0.354308D+02      0.394220D+02
   xx         0.474253D+03      0.702771D+02      0.781938D+02
   yx        -0.187190D+02     -0.277387D+01     -0.308635D+01
   yy         0.443690D+03      0.657481D+02      0.731546D+02
   zx         0.501661D+02      0.743384D+01      0.827127D+01
   zy         0.420840D+02      0.623621D+01      0.693872D+01
   zz         0.252687D+03      0.374444D+02      0.416625D+02

 ----------------------------------------------------------------------

 Dipole orientation:
     1          2.79196355         -1.07561988          3.00987757
     6          3.05784515         -2.12078621          1.28108022
     6          5.45194560         -2.35788217          0.30595923
     1          7.02734984         -1.48296848          1.27275286
     6          5.86551080         -3.73053220         -1.92546961
     1          7.74848324         -3.87224434         -2.71019780
     6          3.87669022         -4.94926378         -3.05876068
     1          4.17624459         -6.09477732         -4.72815843
     6          1.41396040         -4.78932325         -2.05347930
     6         -0.58772633         -6.26479260         -3.08557277
     6          0.94911290         -3.23468306          0.08904140
     6         -1.61142676         -2.97757134          1.02531161
     6         -3.40825362         -4.77294159          0.19959592
     6         -2.86791259         -6.34477666         -1.92257656
     6         -2.40145093         -1.11972869          2.86239486
     6         -4.52302692         -1.72735784          4.39124992
     6         -6.16761156         -3.71814195          3.66677280
     6         -5.71980214         -5.06798089          1.52804964
     6         -1.22947064          1.31178496          3.27042409
     6         -1.59558337          2.51608215          5.62652975
     6         -3.46051330          1.60208278          7.32454918
     6         -4.99502516         -0.33897283          6.63735252
     6          0.14865252          2.70130888          1.35547254
     6         -0.15283189          4.69992337          6.26939006
     6          1.47301235          5.75907498          4.59693573
     6          1.59578768          4.85025624          2.06739599
     6          3.04307702          6.12620211          0.22849615
     6          3.00462731          5.41167392         -2.26362180
     6          1.42300841          3.40876644         -2.97113203
     6          0.01814327          2.09614859         -1.23730961
     1         -0.21096727         -7.41452969         -4.73578272
     1         -4.33981436         -7.59839982         -2.59343647
     1         -7.82408809         -4.08134985          4.81174185
     1         -7.04715820         -6.48538651          0.88337884
     1         -3.72768538          2.57382651          9.10510582
     1         -6.56224655         -0.90835616          7.82346483
     1         -0.38419493          5.49018032          8.14283608
     1          2.60437713          7.38289880          5.11657778
     1          4.17580845          7.72849596          0.81014142
     1          4.11667413          6.39461279         -3.66514844
    35          1.23001063          2.48674964         -6.45484439
     1         -1.19958258          0.59600273         -1.87213581

 Electric dipole moment (dipole orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.671122D+00      0.170582D+01      0.569001D+01
   x          0.000000D+00      0.000000D+00      0.000000D+00
   y          0.000000D+00      0.000000D+00      0.000000D+00
   z          0.671122D+00      0.170582D+01      0.569001D+01

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.334585D+03      0.495804D+02      0.551657D+02
   aniso      0.203899D+03      0.302147D+02      0.336184D+02
   xx         0.324536D+03      0.480913D+02      0.535088D+02
   yx         0.655757D+02      0.971731D+01      0.108120D+02
   yy         0.320459D+03      0.474871D+02      0.528366D+02
   zx        -0.751796D+02     -0.111405D+02     -0.123954D+02
   zy         0.588522D+02      0.872100D+01      0.970342D+01
   zz         0.358761D+03      0.531629D+02      0.591517D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  532.0nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.390210D+03      0.578232D+02      0.643370D+02
   aniso      0.239099D+03      0.354308D+02      0.394220D+02
   xx         0.373577D+03      0.553584D+02      0.615946D+02
   yx         0.740282D+02      0.109698D+02      0.122056D+02
   yy         0.386288D+03      0.572420D+02      0.636903D+02
   zx        -0.929639D+02     -0.137758D+02     -0.153277D+02
   zy         0.676485D+02      0.100245D+02      0.111537D+02
   zz         0.410765D+03      0.608691D+02      0.677260D+02

 ----------------------------------------------------------------------
 1\1\GINC-CPN-U25-10\Freq\RB3LYP\Gen\C26H15Br1\PIERPA\17-Jul-2021\0\\#P
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 0000002,0.00000062,-0.00000076,-0.00000067,-0.00000138,0.00000017,-0.0
 0000235,0.00000032,-0.00000098,-0.00000231,0.00000253,-0.00000041,-0.0
 0000078,0.00000136,0.00000001,-0.00000146,0.00000196,-0.00000031,0.000
 00800,0.00001076,0.00000330,-0.00000941,-0.00003891,0.00001251\\\@


 WORK FAITHFULLY FOR EIGHT HOURS A DAY AND DON'T WORRY.
 IN TIME YOU MAY BECOME BOSS AND WORK TWELVE HOURS A DAY
 AND HAVE ALL THE WORRY.
 Job cpu time:       4 days 13 hours 48 minutes  8.0 seconds.
 Elapsed time:       0 days 13 hours 45 minutes 34.1 seconds.
 File lengths (MBytes):  RWF=   2160 Int=      0 D2E=      0 Chk=     60 Scr=      2
 Normal termination of Gaussian 16 at Sat Jul 17 02:13:20 2021.
